SCHEMBL309271

SCHEMBL309271

CCc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
PHGDH O43175 1/20 0.63
HRH3 Q9Y5N1 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
FKBP1A P62942 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
AKR1C3 P42330 1/20 0.56
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.54
DNMT1 P26358 1/20 0.54

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
SCHEMBL17809708 0.95 HPGD (0.60) HPGDALDH1A1MAPTLMNAPHGDH
SCHEMBL14393702 0.87 HPGD (0.61) HPGDALDH1A1MAPTLMNAPHGDH
SCHEMBL10720943 0.86 PHGDH (0.81) HPGDALDH1A1MAPTPHGDHSMN1; SMN2
SCHEMBL8739521 0.85 HPGD (0.56) HPGDALDH1A1MAPTLMNAHRH3
SCHEMBL16057730 0.85 PHGDH (0.65) HPGDALDH1A1MAPTLMNAPHGDH
SCHEMBL10264405 0.84 ALDH1A1 (0.62) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL300831 0.84 HPGD (0.68) HPGDALDH1A1MAPTLMNAHRH3
SCHEMBL7859869 0.83 PHGDH (0.63) HPGDALDH1A1MAPTLMNAPHGDH
SCHEMBL3405905 0.83 PHGDH (0.68) HPGDALDH1A1MAPTLMNAPHGDH
SCHEMBL5957442 0.83 PHGDH (0.63) HPGDALDH1A1MAPTLMNAPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044486-A1 JAK2 INHIBITOR COMPOUNDS AJAX THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-16 US disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
EP-0643040-B1 Amidrazones and their use as pesticides ROHM & HAAS (US) 1999-10-20 EP disclosed
US-5523325-A INSECTICIDES DOW AGROSCIENCES LLC, A DELAWARE LIMITED LIABILITY COMPANY 1996-06-04 US disclosed
EP-0643040-A1 Amidrazones and their use as pesticides ROHM AND HAAS COMPANY (US) 1995-03-15 EP 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 (10 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 HPGD 1910/4885ALDH1A1 3954/4885MAPT 1366/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HPGD 1640/4885ALDH1A1 1635/4885MAPT 4444/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HPGD 3352/4885ALDH1A1 3235/4885MAPT 3127/4885
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN HPGD 4419/4885ALDH1A1 4256/4885MAPT 4569/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR HPGD 2300/4885ALDH1A1 3139/4885MAPT 2129/4885
US-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 HPGD 1603/4885ALDH1A1 2006/4885MAPT 1179/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HPGD 1603/4885ALDH1A1 2006/4885MAPT 1179/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 HPGD 1041/4885ALDH1A1 1270/4885MAPT 2300/4885
US-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, CEL HPGD 884/4885ALDH1A1 275/4885MAPT 4599/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HPGD 313/4885ALDH1A1 1806/4885MAPT 3533/4885

“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.