SCHEMBL4507705

SCHEMBL4507705

COc1ccc(C(C(N)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
PARP10 Q53GL7 2/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
ALOX5 P09917 1/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
EPHX1 P07099 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL4493891 0.93 ACP3 (0.57) CA1CA2PARP10PARP1PARP2
SCHEMBL4593652 0.85 CA1 (0.57) CA1CA2PARP10PARP1PARP2
SCHEMBL31362087 0.84 MEN1 (0.45) CA1CA2PARP10PARP1PARP2
SCHEMBL7815176 0.82 ADRA1A (0.53) CA1CA2NPSR1MEN1KMT2A
SCHEMBL15517793 0.82 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL2879870 0.82 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL1354444 0.82 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL1115061 0.82 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL2055565 0.82 EPHX1 (0.55) CA1CA2PARP10PARP1PARP2
SCHEMBL5528055 0.82 CA1 (0.53) CA1CA2PARP10PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
CN-116635370-A Process for preparing N- (bis (4-methoxyphenyl) methyl) -6-oxo-2- (pyridazin-3-yl) -1, 6-dihydropyrimidine-5-carboxamide 英特维特国际股份有限公司 2023-08-22 CN disclosed
CN-110382458-A Enamine compound and application thereof 国立研究开发法人科学技术振兴机构 2019-10-25 CN disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 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 (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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CA1 2109/4885CA2 568/4885PARP10 3274/4885

“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.