SCHEMBL4339474

SCHEMBL4339474

O=C(O)c1sc2cc(F)ccc2c1Nc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.53
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
SENP1 Q9P0U3 1/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK14 Q16539 1/20 0.40
TLR3 O15455 1/20 0.39
CSF1R P07333 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14174318 0.84 CHEK1 (0.43) KDM4ECSF1RMKNK2CSNK2A1
SCHEMBL4341059 0.83 KDM4E (0.50) RAB9AKDM4EMAPK14HTTMEN1
SCHEMBL4342220 0.81 NPC1 (0.54) RAB9AKDM4EMEN1KMT2ATAAR1
Hydrochloric Acid SCHEMBL4344170 0.80 NPC1 (0.53) RAB9AKDM4EMEN1KMT2ATAAR1
SCHEMBL4337486 0.79 CHEK1 (0.40) KDM4ECSF1RTP53MKNK2
SCHEMBL4343923 0.76 ALDH1A1 (0.40) RAB9AKDM4EMAPK14SMN1; SMN2NPC1
SCHEMBL14230457 0.75 ALDH1A1 (0.46) RAB9AKDM4EHTTMEN1KMT2A
SCHEMBL20559686 0.73 BCKDK (0.71) BCKDKSENP1RAB9AKDM4ETLR3
SCHEMBL12895173 0.72 CSNK2A1 (0.43) CDK5CDK5R1RAB9AKDM4ECSF1R
SCHEMBL4339856 0.72 KMT2A (0.42) KDM4ECSF1RHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP disclosed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US disclosed
EP-1834947-A2 3-substituted amino-1H-indole-2-carboxylic acid and 3-substituted amino-benzo[B]thiophene-2carboxylic acid derivatives as interleukin-4 gene expression inhibitors Aventis Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US 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 (2 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-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 BCKDK 3508/4885CDK5 2212/4885CDK5R1 2589/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 BCKDK 3486/4885CDK5 2191/4885CDK5R1 2422/4885

“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.