SCHEMBL5635593

SCHEMBL5635593

N#CCS(=O)(=O)c1ccc(Cl)cc1.O=Cc1c(Cl)[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
PTGS2 P35354 2/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 3/20 0.38
BRD4 O60885 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
AURKB Q96GD4 1/20 0.37
POLB P06746 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
SCHEMBL29953709 0.78 CDK1 (0.51) AHRKMT2AMAPTLMNAGAA
SCHEMBL1093112 0.78 CDK1 (0.51) AHRKMT2AMAPTLMNAGAA
SCHEMBL27804398 0.77 CDK1 (0.50) AHRKMT2AMAPTLMNAGAA
SCHEMBL3247012 0.75 ALDH1A1 (0.50) KMT2AALDH1A1MEN1KDM4E
SCHEMBL5635860 0.74 MAPT (0.62) PTGS2KMT2AMAPTLMNAGAA
SCHEMBL5635857 0.74 MAPT (0.62) PTGS2KMT2AMAPTLMNAGAA
SCHEMBL5636398 0.68 CCNB2 (0.54) AHRPTGS2KMT2AMAPTLMNA
SCHEMBL28003901 0.68 AHR (0.63) AHRKMT2AMAPTLMNACYP19A1
SCHEMBL29955048 0.68 AHR (0.48) AHRKMT2AMAPTLMNAGAA
SCHEMBL751 0.67 PSIP1 (0.54) MAPTPOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 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-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 AHR 15/4885PTGS2 591/4885KMT2A 1438/4885

“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.