SCHEMBL13680660

SCHEMBL13680660

Cc1cccc(-c2cnc(=O)n(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 13/20 0.43
▸ GRIN1 Q05586 9/20 0.43
▸ COMT P21964 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ TGFBR1 P36897 1/20 0.39

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
SCHEMBL15341802 0.80 RXRA (0.43) GRIN2BGRIN1
SCHEMBL13680661 0.75 BRD4 (0.64) —
SCHEMBL15262104 0.73 BRD4 (0.39) —
SCHEMBL12688 0.73 TEK (0.58) —
SCHEMBL24289812 0.71 KMT2A (0.44) —
Ammonia Solution, Strong SCHEMBL28862497 0.71 TEK (0.56) —
SCHEMBL13680651 0.71 IDO1 (0.47) —
SCHEMBL29636219 0.70 TGFBR1 (0.49) GRIN2BGRIN1TGFBR1
SCHEMBL31471473 0.70 ACHE (0.69) —
SCHEMBL29373699 0.70 ACHE (0.69) —

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 — — EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 — — US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — 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 (2 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 GRIN2B 1505/4885GRIN1 793/4885COMT 498/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 GRIN2B 1505/4885GRIN1 793/4885COMT 498/4885

“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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