SCHEMBL677653

SCHEMBL677653

Nc1cc2ccccc2c(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 6/20 0.48
HPGD P15428 5/20 0.48
TSHR P16473 4/20 0.48
CYP3A4 P08684 2/20 0.48
KEAP1 Q14145 1/20 0.48
HPRT1 P00492 1/20 0.45
HIF1A Q16665 2/20 0.44
CYP1B1 Q16678 1/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 4/20 0.44
HTT P42858 2/20 0.44
RAD52 P43351 2/20 0.44
HTR2A P28223 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
GLA P06280 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NQO2 P16083 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 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
SCHEMBL29463710 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL31281983 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL12124161 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29368234 0.81 HTR2A (0.54) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL1264430 0.81 HTR2A (0.54) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL3317872 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL8655957 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL3668935 0.79 CYP2A6 (0.45) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL3673336 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL3669260 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371013-A Quaternary ammonium salt and preparation method and application thereof 中国石油天然气股份有限公司 2025-01-28 CN claimed
CN-102499250-A Jatropha curcas microcapsule and preparation technique thereof UNIV YUNNAN 2012-06-20 CN claimed
US-6720378-B2 OXIDATIVE CONDENSATE OF A PI-ELECTRON AROMATIC COMPOUND; POLYANILINE, POLYPYRROLE, POLYTHIOPHENE; CARBON BLACK YOKOHAMA RUBBER CO., LTD (JP) 2004-04-13 US claimed
EP-1054031-A2 Increasing the molecular weight and modification of condensation polymers Ciba SC Holding AG (CH) 2000-11-22 EP claimed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP claimed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP claimed
US-20250019563-A1 COMPOSITION INCLUDING ADDITION CONDENSATION PRODUCT OF AROMATIC COMPOUND AND CARBONYL COMPOUND AND THIOL COMPOUND, METHOD FOR PRODUCING COMPOSITION, SCALE ADHESION PREVENTION AGENT, REACTION APPARATUS, POLYMER, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-01-16 US disclosed
US-20240384116-A1 MODIFIED EPOXY RESIN AND ELECTRODEPOSITION COATING MATERIAL KANSAI PAINT CO., LTD. (JP) 2024-11-21 US disclosed
EP-4410858-A1 MODIFIED EPOXY RESIN AND ELECTRODEPOSITION COATING MATERIAL Kansai Paint Co., Ltd. (JP) 2024-08-07 EP disclosed
CN-118103424-A Modified epoxy resin and electrodeposition paint 关西涂料株式会社 2024-05-28 CN disclosed
WO-2023048273-A1 MODIFIED EPOXY RESIN AND ELECTRODEPOSITION COATING MATERIAL 関西ペイント株式会社 2023-03-30 WO disclosed
US-20230037858-A1 COMPOSITION CONTAINING ADDITION CONDENSATION PRODUCT, METHOD FOR PRODUCING SAME, USE OF SAME, POLYMERIZATION VESSEL, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-02-09 US disclosed
US-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-31 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4563212-A MICROCAPSULES CONTAINING AGRICULTURAL CHEMICALS MONSANTO COMPANY (US) 1986-01-07 US disclosed
US-4534783-A CAPSULES OF POLYUREA, POLYAMIDE, POLYESTER OR POLYURETHANE; HERBICIDES, INSECTICIDES MONSANTO CO. (US) 1985-08-13 US disclosed
EP-0148169-A2 High concentration encapsulation of water soluble-materials Monsanto Company (US) 1985-07-10 EP disclosed
EP-0148149-A2 High concentration encapsulation by interfacial polycondensation Monsanto Company (US) 1985-07-10 EP disclosed
US-4197125-A MERCAPTO-CONTAINING ESTER IN ACTIVATING LAYER, UNSATURATED POLYURETHANE, VINYL MONOMER, PHOTOPOLYMERIZATION TEIJIN LIMITED (JP) 1980-04-08 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-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer MCCC2, PYCARD, PCCA ALDH1A1 2590/4885HSD17B10 1987/4885HPGD 2149/4885

“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.