SCHEMBL3586923

SCHEMBL3586923

Cc1c(C(=O)N(C)Cc2ccc3ncccc3c2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NLRP3 Q96P20 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL3585616 0.96 TACR1 (0.32) TACR1NOS1NOS2PTGDR2NLRP3
SCHEMBL3587816 0.92 KDM4E (0.31) TACR1
SCHEMBL3589562 0.92 HTR6 (0.35) TACR1NOS1NOS2PTGDR2HTR6
SCHEMBL3587121 0.90 HTR6 (0.35) HTR6
SCHEMBL3575304 0.86 KDM4E (0.32) TACR1PTGDR2
SCHEMBL3590814 0.82 PTGDR2 (0.32) TACR1NOS1NOS2PTGDR2
SCHEMBL3584400 0.81 SPR (0.38)
SCHEMBL3582755 0.80 HTR6 (0.33) HTR6
SCHEMBL3588435 0.78 KMT2A (0.36) PTGDR2
SCHEMBL3578045 0.78 PTGDR2 (0.35) PTGDR2

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 4 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
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP claimed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E TACR1 4132/4885NOS1 415/4885NOS2 1012/4885

“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.