SCHEMBL455368

SCHEMBL455368

c1ccc(-n2cc3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
COMT P21964 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 5/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.35
GAA P10253 3/20 0.33
GSK3A P49840 3/20 0.33
GSK3B P49841 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD4 P21917 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL10054749 0.83 COMT (0.42) CYP3A4COMTALOX12ALDH1A1CYP1A2
SCHEMBL14005770 0.79 TDP1 (0.41) CYP2A6ALOX12ALDH1A1CYP1A2CYP2C9
SCHEMBL29799251 0.79 BIRC5 (0.48) CYP2A6ALDH1A1CYP1A2KDM4EHPGD
SCHEMBL14603457 0.74 CYP3A4 (0.39) CYP3A4COMTALDH1A1CYP1A2CYP2C9
SCHEMBL11143098 0.74 COMT (0.59) CYP3A4COMTALDH1A1CYP1A2CYP2C9
SCHEMBL720718 0.74 NPC1 (0.41) CYP3A4COMTALOX12ALDH1A1CYP1A2
SCHEMBL9683487 0.73 CTNNB1 (0.33) CYP3A4COMTALDH1A1CYP1A2CYP2C9
SCHEMBL4791698 0.72 TUBB4A (0.44) CYP3A4COMTCYP2A6ALDH1A1HPGD
SCHEMBL70709 0.70 ALDH1A1 (0.55) COMTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL44284 0.69 KDM4E (0.50) CYP3A4COMTALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462477-A Chitinase inhibitor and preparation and application thereof 河北农业大学 2025-02-18 CN disclosed
US-12048237-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-07-23 US disclosed
US-20210257563-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2021-08-19 US disclosed
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
US-20190127643-A1 LIQUID CRYSTAL ALIGNING AGENT FOR PHOTOALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING IT, AND DIAMINE AND POLYMER JNC CORPORATION (JP) 2019-05-02 US disclosed
US-20170324049-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-11-09 US disclosed
US-20170324049-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-11-09 US disclosed
US-8809543-B2 Electrophotographic photoreceptor, electrophotographic image forming method, electrophotographic image forming apparatus, and process cartridge for electrophotographic image forming apparatus RICOH COMPANY, LTD. (JP) 2014-08-19 US disclosed
US-20120064443-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC IMAGE FORMING METHOD, ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE FOR ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2012-03-15 US disclosed
US-4954590-A SUBJECTING ISOINDOLINE ISOINDOLE COMPOUND TO OXIDATIVE POLYMERIZATION; ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-09-04 US disclosed
US-4833231-A Polymer having isoindole structure SHOWA DENKO KABUSHIKI KAISHA (JP) 1989-05-23 US disclosed
EP-0248915-A1 POLYMERS HAVING ISOINDOLE STRUCTURE AND PROCESS FOR THEIR PREPARATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-12-16 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 (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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 CYP3A4 4542/4885COMT 1469/4885CYP2A6 4322/4885
US-20210257563-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP CYP3A4 867/4885COMT 587/4885CYP2A6 3062/4885
US-12048237-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP CYP3A4 867/4885COMT 587/4885CYP2A6 3062/4885
US-20170324049-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP CYP3A4 867/4885COMT 587/4885CYP2A6 3062/4885

“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.