SCHEMBL5023522

SCHEMBL5023522

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3c(NS(C)(=O)=O)cc(-c4ccccc4)cc3s2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ACLY P53396 14/20 0.37
CCR2 P41597 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL5027182 0.93 ACLY (0.39) ALDH1A1MEN1MAPK1KMT2AACLY
Benzene SCHEMBL5016963 0.90 KMT2A (0.42) ALDH1A1MEN1MAPK1KMT2ACCR2
SCHEMBL5027363 0.84 KDM4E (0.39) ALDH1A1MEN1KMT2AACLYKDM4E
Benzene SCHEMBL5023466 0.82 FLT1 (0.39) ALDH1A1MEN1MAPK1KMT2ACCR2
SCHEMBL5023088 0.82 KMT2A (0.43) ALDH1A1MEN1MAPK1KMT2ACCR2
SCHEMBL5016928 0.81 HSD17B10 (0.42) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL27678046 0.79 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27677756 0.77 KMT2A (0.35) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL5022953 0.77 KDM4E (0.53) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL5023519 0.76 KDM4E (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT

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
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 ALDH1A1 716/4885MEN1 2848/4885MAPK1 2251/4885

“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.