SCHEMBL4446314

SCHEMBL4446314

COc1ccc(C(C)NC(C)=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.82
CNR1 P21554 1/20 0.66
ACACA Q13085 3/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL4446311 1.00 ACACB (0.82) ACACBCNR1ACACAMEN1KMT2A
SCHEMBL12001658 0.95 ACACB (0.75) ACACBCNR1ACACAMEN1KMT2A
SCHEMBL16063320 0.91 ACACB (1.00) ACACB
SCHEMBL17334054 0.85 ACACB (0.62) ACACBCNR1ACACAMEN1KMT2A
SCHEMBL3719875 0.85 ALOX5 (0.74) ACACBCNR1
SCHEMBL6965264 0.84 ACACB (0.60) ACACBACACA
SCHEMBL29261486 0.84 ACACB (0.60) ACACBCNR1MEN1KMT2AALDH1A1
SCHEMBL16481118 0.84 ACACB (0.60) ACACBACACA
SCHEMBL2464938 0.83 ALDH1A1 (0.63) ACACBCNR1MEN1KMT2AALDH1A1
SCHEMBL2464936 0.83 ALDH1A1 (0.63) ACACBCNR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036790-A Chiral phosphine-acyclic phosphoramidite ligand, preparation method and application thereof 中国科学院大连化学物理研究所 2026-05-15 CN disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
EP-2061748-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS Office Of Intellectual Property And Technology (US) 2009-05-27 EP disclosed
WO-2008027740-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS OFFICE OF INTELLECTUAL PROPERTY AND TECHNOLOGY (US) 2008-03-06 WO disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ACACB 4200/4885CNR1 1679/4885ACACA 3231/4885

“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.