SCHEMBL1814040

SCHEMBL1814040

Cc1cc(C=O)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
XDH P47989 1/20 0.44
SRC P12931 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
VCAM1 P19320 1/20 0.40
TSHR P16473 4/20 0.39
ALDH3A1 P30838 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3601360 0.88 XDH (0.51) ALDH1A1TDP1XDHALDH5A1ABAT
SCHEMBL17320649 0.78 XDH (0.53) ALDH1A1TDP1XDHALDH5A1ABAT
SCHEMBL1820951 0.77 ALDH1A1 (0.58) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL28303467 0.76 XDH (0.60) ALDH1A1XDHALDH5A1ABATVCAM1
SCHEMBL1812370 0.75 ALDH1A1 (0.47) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL531803 0.75 XDH (0.69) ALDH1A1XDHALDH5A1ABATVCAM1
SCHEMBL8440730 0.75 TSHR (0.58) ALDH1A1TDP1TSHRPOLBKMT2A
SCHEMBL19970551 0.74 XDH (0.48) ALDH1A1TDP1XDHALDH5A1ABAT
SCHEMBL6715667 0.74 ALDH1A1 (0.61) ALDH1A1XDHALDH5A1ABATVCAM1
SCHEMBL14035450 0.74 XDH (0.58) ALDH1A1TDP1XDHALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119100946-A Synthesis method of key intermediate of rilpivirine 石家庄龙泽制药股份有限公司 2024-12-10 CN disclosed
CN-102177135-A Acylaminobenzamide derivatives BAYER CROPSCIENCE AG 2011-09-07 CN disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed
US-7585861-B2 HIV replication inhibitors; for (multi)drug resistant HIV infection JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-08 US disclosed
US-7585861-B2 HIV replication inhibitors; for (multi)drug resistant HIV infection JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-08 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 US disclosed
US-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2007-02-01 US disclosed
EP-1592673-A4 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES IVAX DRUG RES INST LTD (HU) 2006-10-25 EP disclosed
CN-1747938-A Novel substituted 2, 3-benzodiazepine * derivatives IVAX INST FOR DRUG RES LTD (HU) 2006-03-15 CN disclosed
EP-1592673-A2 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES Ivax Institute for Drug Research, Ltd. (HU) 2005-11-09 EP disclosed
WO-2004069197-A2 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES IVAX CORPORATION (US) 2004-08-19 WO disclosed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
EP-0041675-A2 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-16 EP disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 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 (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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 ALDH1A1 271/4885TDP1 3523/4885XDH 3525/4885
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection REV1, CCNI, MCM6 ALDH1A1 3720/4885TDP1 2151/4885XDH 915/4885
US-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 ALDH1A1 844/4885TDP1 3724/4885XDH 944/4885

“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.