SCHEMBL15543736

SCHEMBL15543736

CC(C)Oc1ncc(Oc2ccc(C(=O)O)cc2Br)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.49
▸ ACACB O00763 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ XDH P47989 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ MRGPRX4 Q96LA9 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
SCHEMBL16175242 0.87 SCN9A (0.49) SCN9AACACBSCN5APTGER4
SCHEMBL15599207 0.86 SCN9A (0.46) SCN9AACACBSCN5AS1PR1S1PR3
SCHEMBL15543257 0.83 SCN9A (0.68) SCN9AACACBSCN5AKMT2APTGER4
SCHEMBL16175271 0.80 SCN9A (0.50) SCN9AACACBSCN5A
SCHEMBL15543987 0.79 SCN9A (0.75) SCN9AACACBPTGER4RORCMRGPRX4
SCHEMBL365235 0.79 SCN9A (0.41) SCN9AACACBSCN5A
SCHEMBL16175156 0.76 SCN9A (0.51) SCN9AACACBSCN5A
SCHEMBL365976 0.76 SCN9A (0.46) SCN9AACACBSCN5APTGER4
SCHEMBL16175568 0.75 PARP10 (0.52) SCN9AACACBKMT2A
SCHEMBL404384 0.75 RORC (0.45) SCN9AKMT2AS1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346416-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-12-06 — — US disclosed
US-10071957-B2 N-substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2018-09-11 — — US disclosed
EP-2870138-B1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-08-22 — — EP disclosed
US-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-12 — — US disclosed
EP-2870138-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2015-05-13 — — EP disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 — — 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 (3 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-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, SNRPD2, RDX SCN9A 1104/4885ACACB 3073/4885SCN5A 724/4885
US-10071957-B2 N-substituted benzamides and methods of use thereof BRIX1, SNRPD2, RDX SCN9A 1104/4885ACACB 3073/4885SCN5A 724/4885
US-20180346416-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, P2RX3 SCN9A 501/4885ACACB 3490/4885SCN5A 327/4885

“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.

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