SCHEMBL4465377

SCHEMBL4465377

Cc1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
GPR119 Q8TDV5 10/20 0.52
PDE4B Q07343 3/20 0.51
PDE4D Q08499 3/20 0.51
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
KDM1A O60341 1/20 0.46
TOP2A P11388 1/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL30962804 0.94 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL30912375 0.94 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL20695970 0.91 ALDH1A1 (0.54) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL1813964 0.89 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL2255441 0.88 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5864756 0.88 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL31216598 0.88 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL31216608 0.88 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5970747 0.88 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL2814379 0.88 PDE4B (0.63) ALDH1A1LMNAMAPTGPR119PDE4B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711366-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF Mindrank AI Ltd. (CN) 2026-03-18 EP disclosed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 EP disclosed
US-20250136595-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2025-05-01 US disclosed
EP-4476211-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-12-18 EP disclosed
WO-2024230807-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-11-14 WO disclosed
WO-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP 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 (4 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-20250136595-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, ERBB4 ALDH1A1 2574/4885LMNA 4363/4885MAPT 3827/4885
US-20040147555-A1 Benzamidine derivatives F9, F7, F2 ALDH1A1 1382/4885LMNA 1752/4885MAPT 4885/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1918/4885LMNA 1709/4885MAPT 4879/4885
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY ALDH1A1 237/4885LMNA 577/4885MAPT 4753/4885

“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.