SCHEMBL3857715

SCHEMBL3857715

CCc1ccc(N)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
PDE10A Q9Y233 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
CASP1 P29466 3/20 0.46
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL31184714 1.00 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1NOS3NOS1
SCHEMBL29673045 0.83 ALDH1A1 (0.56) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL272096 0.83 ALDH1A1 (0.56) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL865950 0.83 ALDH1A1 (0.56) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL7747248 0.82 ALDH1A1 (0.50) ALDH1A1PDE10AL3MBTL1NOS2CASP1
SCHEMBL29468021 0.81 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL5192354 0.81 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL5953121 0.81 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1NOS3NOS1
SCHEMBL395438 0.80 PRKCI (0.47) ALDH1A1L3MBTL1CASP1TSHRCYP3A4
SCHEMBL29738343 0.80 PRKCI (0.47) ALDH1A1L3MBTL1CASP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN claimed
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
US-12024579-B2 Curable liquid composition, particulate filler, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2024-07-02 US disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
CN-113412299-B Polyamic acid and polyimide, optical film and display device, and method for producing same 中央硝子株式会社 2023-08-18 CN disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
CN-116194435-A Fluorine-containing diamine or salt thereof, method for producing fluorine-containing diamine or salt thereof, polyamide, method for producing polyamide, polyamide solution, polyamide cyclized body, method for producing polyamide cyclized body, insulating material for high-frequency electronic component, method for producing insulating material for high-frequency electronic component, high-frequency machine, and insulating material for producing high-frequency electronic component 中央硝子株式会社 2023-05-30 CN disclosed
US-20230119573-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND POLYIMIDE COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
CN-115803364-A Polyamide, polyamideimide and derivative thereof, optical film and display device, and method for producing them 中央硝子株式会社 2023-03-14 CN disclosed
CN-113412299-A Polyamic acid and polyimide, optical film and display device, and method for producing same 中央硝子株式会社 2021-09-17 CN disclosed
WO-2007112998-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI [1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007087066-A2 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
EP-1064329-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
EP-1064319-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
WO-1999033902-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed
WO-1999033923-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed
US-4261926-A REACTION WITH KETONE IN PRESENCE OF PLATINUM HYDROGENATION CATALYST AND A PROMOTER ACID AMERICAN CYANAMID COMPANY (US) 1981-04-14 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4124639-A N-alkoxyalkyl-2,6-dinitroaniline herbicides AMERICA CYANAMID COMPANY (US) 1978-11-07 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-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885PDE10A 4207/4885L3MBTL1 4594/4885

“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.