SCHEMBL6461

SCHEMBL6461

O=C(O)c1[c]c2ccccc2cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA6 P23280 2/20 0.38
CA9 Q16790 2/20 0.38
HMGB1 P09429 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL5142862 0.83 IDO1 (0.47) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL1044636 0.76 IDO1 (0.47) ACMSDHPGDKDM4EALDH1A1MEN1
SCHEMBL9777674 0.76 IDO1 (0.47) ACMSDHPGDKDM4EALDH1A1MEN1
SCHEMBL1193247 0.75 TRPM4 (0.41) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL1322927 0.75 TRPM4 (0.41) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL17707246 0.74 GLA (0.44) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL4802146 0.74 KDM4E (0.44) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL10501308 0.73 BACE1 (0.40) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL22981765 0.72 TRPM4 (0.39) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL11764391 0.72 TRPM4 (0.39) HPGDKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107669664-B Compositions for respiratory delivery of active agents and related methods and systems 珍珠治疗公司 2020-07-10 CN claimed
EP-0538193-B1 Condensed cycloaliphatir-amidino-hydrazon salts as S-adenosylmethionin decarboxylase inhibitors CIBA GEIGY AG (CH) 1996-12-04 EP claimed
CN-116710104-A Pharmaceutical compositions deliverable by metered dose inhaler 江苏恒瑞医药股份有限公司 2023-09-05 CN disclosed
CN-107412212-B Pulmonary delivery of long-acting muscarinic antagonists and long-acting beta2Compositions of adrenergic receptor agonists and related methods and systems 珍珠治疗公司 2021-01-22 CN disclosed
CN-107669664-B Compositions for respiratory delivery of active agents and related methods and systems 珍珠治疗公司 2020-07-10 CN disclosed
US-8778948-B2 Substituted phenylpiperazinyl aralkylalcohol derivatives, pharmaceutical compositions containing such derivatives and uses thereof NHWA Pharma, Corporation (CN) 2014-07-15 US disclosed
CN-103687483-A Compositions, methods and systems for respiratory delivery of two or more active agents PEARL THERAPEUTICS INC 2014-03-26 CN disclosed
CN-102753152-A Respiratory Delivery of Active Agents PEARL THERAPEUTICS INC 2012-10-24 CN disclosed
CN-102596176-A Compositions for respiratory delivery of active agents and related methods and systems PEARL THERAPEUTICS INC 2012-07-18 CN disclosed
CN-102458364-A Pulmonary delivery of long-acting muscarinic antagonists and long-acting beta2Compositions of adrenergic receptor agonists and related methods and systems PEARL THERAPEUTICS INC 2012-05-16 CN disclosed
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO disclosed
US-5639911-A Hydrazones CIBA-GEIGY CORPORATION (US) 1997-06-17 US disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 WO disclosed
CN-1128263-A Pyrrolopyrimidine derivatives having pharmacological activity CIBA GEIGY AG (CH) 1996-08-07 CN disclosed
US-5461076-A Inhibitors of S-adenosylmethionine decarboxylase; antitumor agents NOVARTIS CORPORATION 1995-10-24 US disclosed
US-5395855-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1995-03-07 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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE HTR2A, HTR2C, HTR5A ACMSD 2659/4885HPGD 1830/4885KDM4E 1382/4885

“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.