SCHEMBL7569169

SCHEMBL7569169

COc1ccc(C2CSC(NOC(=O)C(=O)ONC3=NC(c4ccc(OC)cc4)CS3)=N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 4/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TSHR P16473 1/20 0.34
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL14042453 0.76 HDAC3 (0.51) RAB9ANPC1GAAKMT2ASMN1; SMN2
SCHEMBL14041817 0.73 MMP1 (0.57) RAB9ANPC1KMT2AMAOBSMN1; SMN2
Oxalic Acid SCHEMBL7569162 0.73 KDM1A (0.41) RAB9AGAAPOLBCES2CES1
SCHEMBL14041941 0.73 MMP1 (0.58) RAB9ANPC1KMT2ASMN1; SMN2TSHR
SCHEMBL10271980 0.72 KDM1A (0.44) RAB9ANPC1GAAKMT2AKDM1A
SCHEMBL6258048 0.71 KDM1A (0.47) RAB9ANPC1GAAKDM1AMAOA
SCHEMBL6254714 0.71 KDM1A (0.47) RAB9ANPC1GAAKDM1AMAOA
SCHEMBL12281223 0.71 ROCK2 (0.53) RAB9ANPC1POLBKMT2ASMN1; SMN2
SCHEMBL14042337 0.70 PARP15 (0.46) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL14041857 0.70 ALDH1A1 (0.55) RAB9ANPC1GAAPOLBKMT2A

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-6420566-B2 NITRIC OXIDE SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 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 (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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 RAB9A 3414/4885NPC1 2358/4885GAA 1478/4885

“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.