SCHEMBL399652

SCHEMBL399652

Nc1cccc(Cc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.68
MAOA P21397 4/20 0.68
CALM1 P0DP23 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
CYP19A1 P11511 3/20 0.54
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
CYP3A4 P08684 3/20 0.50
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
IDH1 O75874 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
TSHR P16473 2/20 0.46
LOXL2 Q9Y4K0 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
SCHEMBL13971316 0.98 MAOB (0.65) MAOBMAOACALM1CA1CA2
Ammonia Solution, Strong SCHEMBL10698619 0.98 MAOB (0.65) MAOBMAOACALM1CA1CA2
Diphenylmethane SCHEMBL17414841 0.93 MAOB (0.64) MAOBMAOACALM1CA1CA2
SCHEMBL9719373 0.93 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL29569802 0.93 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL30324526 0.93 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL3482569 0.93 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL49433 0.93 MAOB (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL30583096 0.93 MAOB (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL9719335 0.90 MAOB (0.60) MAOBMAOACALM1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184603-A Diamine monomer containing piperazine unit, polyimide acid salt separation membrane, and preparation method and application thereof 天津科技大学 2024-06-14 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-104419416-B Liquid composition containing phosphorescent light-emitting materials 住友化学株式会社 2017-03-29 CN claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
CN-119661386-A Synthesis method and compound of 3-amino-5- (4-methoxybenzyl) -2-nitrobenzoic acid methyl ester 上海毕得医药科技股份有限公司 2025-03-21 CN disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-4279637-A Herbicidal N-substituted 4-imidazolin-2-ones VELSICOL CHEMICAL CORPORATION (US) 1981-07-21 US disclosed
US-4273779-A Treating hypertension with substituted-5-amino-2-pyridinecarboxylic acids CIBA-GEIGY CORPORATION (US) 1981-06-16 US disclosed
US-4189443-A BOILING AROMATIC AMINE UNDER REFLUX, CONDENSATION POLYMERIZATION WUTH FORMALDEHYDE BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4089901-A HEATING IN WATER WITH MONOARYLAMINE, SOLID ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4083870-A Process for converting polyaminopolyaryl-methanes into diaminodiarylmethanes BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3972926-A MICROBIOCIDE RIKER LABORATORIES, INC. (US) 1976-08-03 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 (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-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG MAOB 2371/4885MAOA 1548/4885CALM1 2913/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 MAOB 588/4885MAOA 598/4885CALM1 4350/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 MAOB 588/4885MAOA 598/4885CALM1 4350/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 MAOB 588/4885MAOA 598/4885CALM1 4350/4885

“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.