SCHEMBL13034819

SCHEMBL13034819

CC(C)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.70
▸ POLB P06746 2/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ MAPT P10636 1/20 0.70
▸ PABPC1 P11940 1/20 0.62
▸ RAB9A P51151 9/20 0.61
▸ HDAC1 Q13547 2/20 0.57
▸ ALDH1A1 P00352 4/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CASP3 P42574 2/20 0.55
▸ SENP7 Q9BQF6 2/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NOTUM Q6P988 1/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55

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
SCHEMBL21479388 0.88 MEN1 (0.58) NPC1POLBMEN1KMT2AMAPT
SCHEMBL13101023 0.86 NPC1 (0.67) NPC1POLBMEN1KMT2AMAPT
SCHEMBL29728201 0.83 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL1538297 0.83 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL31054249 0.83 NPC1 (1.00) NPC1POLBMEN1KMT2AMAPT
SCHEMBL651929 0.83 NPC1 (1.00) NPC1POLBMEN1KMT2AMAPT
SCHEMBL3627962 0.82 ALDH1A1 (0.64) NPC1POLBMEN1KMT2AMAPT
SCHEMBL3632246 0.82 ALDH1A1 (0.64) NPC1POLBMEN1KMT2AMAPT
SCHEMBL30846693 0.82 NPC1 (0.58) NPC1POLBMEN1KMT2AMAPT
SCHEMBL30741445 0.81 NPC1 (0.79) NPC1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026910-B2 α- and γ-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-06-08 — — US disclosed
US-20190201365-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-07-04 — — US disclosed
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-08-03 — — US disclosed
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-08-03 — — US disclosed
US-9604904-B2 Alpha- and gamma-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-03-28 — — US disclosed
US-9604904-B2 Alpha- and gamma-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-03-28 — — US disclosed
US-20150183715-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-07-02 — — US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 — — US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 — — US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 — — 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 (6 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-20190201365-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 NPC1 1901/4885POLB 4667/4885MEN1 4872/4885
US-11026910-B2 α- and γ-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 NPC1 1458/4885POLB 4688/4885MEN1 4873/4885
US-20150183715-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 NPC1 1901/4885POLB 4667/4885MEN1 4872/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 NPC1 1606/4885POLB 2431/4885MEN1 4216/4885
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 NPC1 1901/4885POLB 4667/4885MEN1 4872/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 NPC1 3853/4885POLB 3060/4885MEN1 3897/4885

“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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