SCHEMBL4177215

SCHEMBL4177215

Cc1c(F)cccc1NC(=S)NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALOX12 P18054 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CRHBP P24387 1/20 0.51
NPBWR1 P48145 1/20 0.51
CRHR2 Q13324 1/20 0.51
MCHR1 Q99705 1/20 0.51
HPGD P15428 2/20 0.50
CYP2C9 P11712 1/20 0.49
MAPT P10636 1/20 0.48
EPHX1 P07099 2/20 0.48
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2091236 0.83 SMN1; SMN2 (0.68) ALDH1A1GAASMN1; SMN2RAB9AMAPT
SCHEMBL18550663 0.80 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2KDM4EMAPT
SCHEMBL2254530 0.79 ALDH1A1 (0.63) ALDH1A1RAB9ANPSR1ALOX12KDM4E
SCHEMBL2091233 0.78 SMN1; SMN2 (0.61) ALDH1A1GAASMN1; SMN2RAB9AMAPT
SCHEMBL30002532 0.78 SMN1; SMN2 (0.61) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL863826 0.78 SMN1; SMN2 (0.61) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL4304855 0.76 SMN1; SMN2 (0.59) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL9331432 0.75 SMN1; SMN2 (0.59) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL2091871 0.75 SMN1; SMN2 (0.58) ALDH1A1GAASMN1; SMN2RAB9ANPSR1
SCHEMBL11761177 0.75 HDAC3 (0.56) ALDH1A1RAB9ANPSR1ALOX12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 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 (1 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 ALDH1A1 2808/4885GAA 3406/4885SMN1; SMN2 4786/4885

“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.