SCHEMBL8718047

SCHEMBL8718047

CCCOc1ccccc1C(=N)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HIF1A Q16665 1/20 0.48
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2789851 0.86 HCRTR1 (0.54) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6962004 0.85 MEN1 (0.48) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL20678058 0.85 ALDH1A1 (0.45) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL29053673 0.80 MEN1 (0.62) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL2566716 0.79 LMNA (0.55) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL2492279 0.78 LMNA (0.53) KMT2AMEN1HIF1ALMNAMAPT
Hydrochloric Acid SCHEMBL973645 0.78 LMNA (0.54) KMT2AMEN1HIF1ALMNAMAPT
Hydrochloric Acid SCHEMBL28520522 0.78 LMNA (0.54) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL6955280 0.78 KMT2A (0.54) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL2775341 0.77 LMNA (0.51) KMT2AMEN1LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043757-B Method for continuously preparing benzamidine hydrochloride 南京桦冠生物技术有限公司 2023-08-08 CN disclosed
CN-115043757-A Method for continuously preparing benzamidine hydrochloride 南京桦冠生物技术有限公司 2022-09-13 CN disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-0861071-A1 BENZAMIDOXIME PRODRUGS AS ANTIPNEUMOCYSTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-02 EP disclosed
WO-1997017949-A1 BENZAMIDOXIME PRODRUGS AS ANTIPNEUMOCYSTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-22 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 (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-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R KMT2A 731/4885MEN1 476/4885HIF1A 285/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR KMT2A 1553/4885MEN1 829/4885HIF1A 605/4885

“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.