SCHEMBL2344136

SCHEMBL2344136

Cn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 1.00
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.64
CXCR3 P49682 4/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 1/20 0.58

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
Hydrochloric Acid SCHEMBL4233098 0.99 F2R (0.98) F2RRAB9ANPC1CXCR3KMT2A
Bromide SCHEMBL2346025 0.99 F2R (0.98) F2RRAB9ANPC1CXCR3KMT2A
SCHEMBL2347450 0.88 F2R (0.79) F2RRAB9ANPC1CXCR3KMT2A
Hydrochloric Acid SCHEMBL21797201 0.87 F2R (0.78) F2RRAB9ANPC1CXCR3KMT2A
Bromide SCHEMBL2349567 0.87 F2R (0.78) F2RRAB9ANPC1CXCR3KMT2A
Bromide SCHEMBL6748476 0.86 F2R (0.77) F2RRAB9ANPC1CXCR3KMT2A
Bromide SCHEMBL6746409 0.85 F2R (0.82) F2RRAB9ANPC1KMT2AMEN1
SCHEMBL12393183 0.85 F2R (1.00) F2RKMT2AMEN1SMN1; SMN2MAPT
Bromide SCHEMBL6746431 0.84 F2R (0.74) F2RRAB9ANPC1CXCR3KMT2A
Bromide SCHEMBL6746448 0.84 F2R (0.71) F2RRAB9ANPC1CXCR3KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163078-A1 Mycobacterial Disease Detection, Treatment, and Drug Discovery THE UAB RESEARCH FOUNDATION (US) 2014-06-12 US disclosed
US-20140163078-A1 Mycobacterial Disease Detection, Treatment, and Drug Discovery THE UAB RESEARCH FOUNDATION (US) 2014-06-12 US disclosed
EP-2535426-A2 Mycobacterial disease detection, treatment, and drug discovery THE UAB RESEARCH FOUNDATION (US) 2012-12-19 EP disclosed
US-8008354-B2 TNF-family death receptor ligand-resistant cells to one or more TNF-family death receptor ligands; screening for molecules that restore sensitivity of tumor cells to TNF-family death receptors and so are useful therapeutic adjuncts to agents such as recombinant TRAIL and tumor vaccines; kills tumor cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-08-30 US disclosed
US-8008354-B2 TNF-family death receptor ligand-resistant cells to one or more TNF-family death receptor ligands; screening for molecules that restore sensitivity of tumor cells to TNF-family death receptors and so are useful therapeutic adjuncts to agents such as recombinant TRAIL and tumor vaccines; kills tumor cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-08-30 US disclosed
US-8008354-B2 TNF-family death receptor ligand-resistant cells to one or more TNF-family death receptor ligands; screening for molecules that restore sensitivity of tumor cells to TNF-family death receptors and so are useful therapeutic adjuncts to agents such as recombinant TRAIL and tumor vaccines; kills tumor cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-08-30 US disclosed
US-20090068197-A1 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY THE UAB RESEARCH FOUNDATION (US) 2009-03-12 US disclosed
US-20090068197-A1 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY THE UAB RESEARCH FOUNDATION (US) 2009-03-12 US disclosed
EP-1996732-A2 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY THE UAB RESEARCH FOUNDATION (US) 2008-12-03 EP disclosed
US-20080206287-A1 Use of cyclosporin A to sensitize resistant cancer cells to death receptor ligands REED JOHN C 2008-08-28 US disclosed
US-20080206287-A1 Use of cyclosporin A to sensitize resistant cancer cells to death receptor ligands REED JOHN C 2008-08-28 US disclosed
US-20080206287-A1 Use of cyclosporin A to sensitize resistant cancer cells to death receptor ligands REED JOHN C 2008-08-28 US disclosed
US-20080166378-A1 DEATH RECEPTOR SENSITIZING COMPOUNDS AND METHODS OF USE THEREFOR THE BURNHAM INSTITUTE 2008-07-10 US disclosed
US-20080166378-A1 DEATH RECEPTOR SENSITIZING COMPOUNDS AND METHODS OF USE THEREFOR THE BURNHAM INSTITUTE 2008-07-10 US disclosed
US-20080166378-A1 DEATH RECEPTOR SENSITIZING COMPOUNDS AND METHODS OF USE THEREFOR THE BURNHAM INSTITUTE 2008-07-10 US disclosed
WO-2008036244-A1 USE OF CYCLOSPORIN A TO SENSITIZE RESISTANT CANCER CELLS TO DEATH RECEPTOR LIGANDS THE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-03-27 WO disclosed
WO-2007101274-A3 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY UAB RESEARCH FOUNDATION (US) 2007-12-21 WO disclosed
WO-2007101274-A2 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY THE UAB RESEARCH FOUNDATION (US) 2007-09-07 WO disclosed
WO-2007101274-A2 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY THE UAB RESEARCH FOUNDATION (US) 2007-09-07 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 (4 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-20140163078-A1 Mycobacterial Disease Detection, Treatment, and Drug Discovery ANP32B, ANP32A, MRPL21 F2R 4019/4885RAB9A 1409/4885NPC1 2974/4885
US-20090068197-A1 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY ANP32B, ANP32A, MRPL21 F2R 4019/4885RAB9A 1409/4885NPC1 2974/4885
US-20080206287-A1 Use of cyclosporin A to sensitize resistant cancer cells to death receptor ligands TNFRSF1A, TNFRSF9, CD40 F2R 2764/4885RAB9A 4474/4885NPC1 3024/4885
US-20080166378-A1 DEATH RECEPTOR SENSITIZING COMPOUNDS AND METHODS OF USE THEREFOR BAD, BAK1, MCL1 F2R 356/4885RAB9A 4650/4885NPC1 1638/4885

“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.