Chs-828

Chs-828

SCHEMBL12083293

N#C/N=C(\NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.80
NAMPT P43490 5/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
ALDH3A1 P30838 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LARS1 Q9P2J5 1/20 0.37
CYP1A2 P05177 1/20 0.37
AR P10275 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8917545 1.00 IKBKB (0.80) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
Chs-828 SCHEMBL16312347 1.00 IKBKB (0.80) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
Chs-828 SCHEMBL810990 1.00 IKBKB (0.80) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL8918236 1.00 IKBKB (0.80) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
Chs-828 SCHEMBL7142976 0.99 IKBKB (0.79) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
Chs-828 SCHEMBL7148798 0.99 IKBKB (0.79) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL8914914 0.92 IKBKB (0.68) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL14234450 0.90 IKBKB (0.66) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL8918690 0.89 IKBKB (0.64) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL8916902 0.89 IKBKB (0.64) IKBKBNAMPTCYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744141-B2 Compositions and methods for treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-08-18 US claimed
US-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 US claimed
EP-3313819-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER Case Western Reserve University (US) 2018-05-02 EP claimed
WO-2016210134-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2016-12-29 WO claimed
US-12083114-B2 Inhibitors of SARM1 in combination with neuro-protective agents DISARM THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230338363-A1 COMBINATION CHEMO-IMMUNOTHERAPY FOR PANCREATIC CANCER USING THE IMMUNOGENIC EFFECTS OF AN IRINOTECAN SILICASOME NANOCARRIER PLUS ANTI-PD-1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 US disclosed
US-20230338363-A1 COMBINATION CHEMO-IMMUNOTHERAPY FOR PANCREATIC CANCER USING THE IMMUNOGENIC EFFECTS OF AN IRINOTECAN SILICASOME NANOCARRIER PLUS ANTI-PD-1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
US-20210369681-A1 Identification of PPM1D mutations as a novel biomarker for NAMPTi sensitivity UNIV YALE (US) 2021-12-02 US disclosed
US-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-12-06 US disclosed
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2012-11-15 US disclosed
US-20120270900-A1 NOVEL METHOD OF TREATMENT TOPO TARGET A/S (DK) 2012-10-25 US disclosed
US-20120270900-A1 NOVEL METHOD OF TREATMENT TOPO TARGET A/S (DK) 2012-10-25 US disclosed
US-8258186-B2 Pharmaceutical for oral delivery comprising MGBG PATHOLOGICA, LLC (US) 2012-09-04 US disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 US disclosed
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 WO disclosed
WO-2011006988-A1 METHOD FOR PREDICTING THE UTILITY OF ADMINISTERING NICOTINIC ACID OR A PRECURSOR OR PRODRUG THEREOF TO REDUCE THE SEVERITY OF SIDE-EFFECTS OF CANCER TREATMENT WITH NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS TOPOTARGET A/S (DK) 2011-01-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12083114-B2 Inhibitors of SARM1 in combination with neuro-protective agents SARM1, SMN1; SMN2, SARNP IKBKB 886/4885NAMPT 813/4885CYP3A4 4851/4885
US-20120270900-A1 NOVEL METHOD OF TREATMENT NAPRT, NAMPT, NNT IKBKB 2508/4885NAMPT 2/4885CYP3A4 1524/4885
US-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PPP2CA, PPP3CA, PPP4C IKBKB 702/4885NAMPT 915/4885CYP3A4 4796/4885
US-10744141-B2 Compositions and methods for treating cancer PPP2CA, PPP3CA, PPP4C IKBKB 702/4885NAMPT 915/4885CYP3A4 4796/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 IKBKB 3399/4885NAMPT 1/4885CYP3A4 1137/4885
US-20210369681-A1 Identification of PPM1D mutations as a novel biomarker for NAMPTi sensitivity NAMPT, PPM1D, PPM1A IKBKB 4239/4885NAMPT 1/4885CYP3A4 4711/4885
US-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES PNPO, XDH, PDXK IKBKB 2511/4885NAMPT 428/4885CYP3A4 284/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP IKBKB 886/4885NAMPT 813/4885CYP3A4 4851/4885
US-20230338363-A1 COMBINATION CHEMO-IMMUNOTHERAPY FOR PANCREATIC CANCER USING THE IMMUNOGENIC EFFECTS OF AN IRINOTECAN SILICASOME NANOCARRIER PLUS ANTI-PD-1 SQSTM1, PDCD1, CD274 IKBKB 419/4885NAMPT 2081/4885CYP3A4 4718/4885
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB IKBKB 689/4885NAMPT 569/4885CYP3A4 4873/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB IKBKB 689/4885NAMPT 569/4885CYP3A4 4873/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IKBKB 3564/4885NAMPT 1/4885CYP3A4 2444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.