SCHEMBL3589987

SCHEMBL3589987

Cc1c(C(=O)N(C)Cc2ccccc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
EPHX2 P34913 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
SCHEMBL3578837 0.89 CRHBP (0.54) CRHBPCRHR2ALDH1A1MAPTGAA
SCHEMBL3579446 0.88 CRHBP (0.53) CRHBPCRHR2ALDH1A1MAPTGAA
SCHEMBL3586897 0.84 KMT2A (0.42) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL3586121 0.80 MEN1 (0.44) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL3584470 0.80 MEN1 (0.42) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL3578354 0.79 MEN1 (0.43) ALDH1A1MAPTKMT2AMEN1
SCHEMBL3582557 0.79 MEN1 (0.41) KMT2AMEN1LMNA
SCHEMBL3582344 0.78 MEN1 (0.45) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL3579882 0.78 KMT2A (0.45) KMT2AMEN1GAALMNAPKM
SCHEMBL3587000 0.77 MEN1 (0.40) ALDH1A1MAPTKMT2AMEN1

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
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E CRHBP 4368/4885CRHR2 4476/4885ALDH1A1 2016/4885

“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.