SCHEMBL978013

SCHEMBL978013

Nc1cccc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.64
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 3/20 0.60
HSD17B10 Q99714 2/20 0.60
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HBB P68871 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
CYP1A2 P05177 2/20 0.50
MAP4K4 O95819 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL30469312 1.00 MAOA (0.64) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL29303802 0.98 MAOA (0.61) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL28635558 0.89 MAOA (0.57) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL20080558 0.87 ALDH1A1 (0.50) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL13304735 0.86 ALDH1A1 (0.81) ALDH1A1CYP3A4HSD17B10HSD17B1HSD17B2
Naphthylamine SCHEMBL11049846 0.84 ALDH1A1 (0.77) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL18903007 0.84 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10HSD17B1HSD17B2
SCHEMBL17689708 0.84 ALDH1A1 (0.56) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL15896241 0.84 MAOA (0.55) MAOAALDH1A1CYP3A4HSD17B10HSD17B1
SCHEMBL6209672 0.84 HSD17B1 (0.71) ALDH1A1CYP3A4HSD17B10HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
US-12048239-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2024-07-23 US disclosed
US-12048239-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2024-07-23 US disclosed
US-20230363259-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 US disclosed
WO-2023113333-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 WO disclosed
WO-2023085860-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed
EP-4137492-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-02-22 EP disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 WO disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP 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 (8 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-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 MAOA 1271/4885ALDH1A1 2918/4885CYP3A4 2330/4885
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, ESR1, EPCAM MAOA 373/4885ALDH1A1 496/4885CYP3A4 309/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAOA 2101/4885ALDH1A1 2806/4885CYP3A4 1573/4885
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, NR1D1 MAOA 1854/4885ALDH1A1 90/4885CYP3A4 762/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 MAOA 861/4885ALDH1A1 13/4885CYP3A4 2067/4885
US-12048239-B2 Composition for organic optoelectronic device, organic optoelectronic device and display device OR10J3, OCIAD2, OCIAD1 MAOA 229/4885ALDH1A1 360/4885CYP3A4 974/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 MAOA 1247/4885ALDH1A1 339/4885CYP3A4 237/4885
US-20230363259-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME LAGE3, EML4, EPB41L2 MAOA 1963/4885ALDH1A1 69/4885CYP3A4 456/4885

“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.