SCHEMBL39710

SCHEMBL39710

Cc1ccc(CN)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
ABAT P80404 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
CYP2A6 P11509 1/20 0.39
CSNK2A1 P68400 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL29406921 1.00 ALDH1A1 (0.46) ALDH1A1HRH3LOXL2ABATCYP1A2
Iodide SCHEMBL31233435 0.97 ALDH1A1 (0.44) ALDH1A1HRH3LOXL2ABATCYP1A2
SCHEMBL27925720 0.84 CYP1A2 (0.39) ALDH1A1LOXL2CYP1A2CYP3A4CYP2D6
SCHEMBL9294913 0.81 HRH3 (0.61) ALDH1A1HRH3LOXL2ABATCYP3A4
SCHEMBL8141320 0.80 HRH3 (0.40) HRH3LOXL2ABATESR1ESR2
SCHEMBL8211010 0.80 ALDH1A1 (0.52) ALDH1A1HRH3LOXL2ABATCYP1A2
SCHEMBL2036306 0.80 SKP2 (0.59) ALDH1A1HRH3LOXL2CYP1A2CYP3A4
SCHEMBL2221947 0.80 TAAR1 (0.43) HRH3LOXL2ABATPNMTENPP2
SCHEMBL718078 0.80 TAAR1 (0.56) ALDH1A1CYP1A2CYP2D6PNMTCYP2A6
SCHEMBL24219430 0.78 HRH3 (0.39) HRH3LOXL2ABATESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926893-B Recyclable cleaning agent and preparation method and application thereof 中国科学院化学研究所 2024-06-25 CN claimed
CN-115926893-A Recyclable cleaning agent and preparation method and application thereof 中国科学院化学研究所 2023-04-07 CN claimed
US-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2021-06-15 US claimed
CN-112624930-A Preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 上海如鲲新材料有限公司 2021-04-09 CN claimed
CN-111777553-A Preparation method of isoquinoline compounds 苏州大学 2020-10-16 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
CN-105505128-A Near-infrared light response self-repairing coating and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2016-04-20 CN claimed
CN-102911124-A Hydroxy-pyrimidone compound and preparation method and application thereof UNIV SHANDONG 2013-02-06 CN claimed
EP-1360186-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2006-11-22 EP claimed
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 WO claimed
EP-4691607-A1 DRAW SOLUTE, DRAW SOLUTION, AND WATER TREATMENT METHOD Nippon Shokubai Co., Ltd. (JP) 2026-02-11 EP disclosed
US-20250346602-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF DICE ALPHA INC (US) 2025-11-13 US disclosed
WO-2025213277-A1 N1-(3,4-DICHLOROPHENYL)MALEAMIDE DERIVATIVES AND THE USE THEREOF IN THE TREATMENT OF INFLAMMATORY DISORDERS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-10-16 WO disclosed
WO-2025137329-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC (US) 2025-06-26 WO disclosed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 US disclosed
US-4009279-A 2-IMINO-1,3-DITHIETANES AMERICAN CYANAMID COMPANY (US) 1977-02-22 US disclosed
US-3997668-A INSECTICIDES, MITICIDE AMERICAN CYANAMID COMPANY (US) 1976-12-14 US disclosed
US-3975528-A Insecticidal 2-imino-1,3-dithietane derivatives AMERICAN CYANAMID COMPANY (US) 1976-08-17 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 (2 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-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection HEXD, SORD, SDHA ALDH1A1 951/4885HRH3 43/4885LOXL2 3742/4885
US-20250346602-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF IL17A, IL15, IL18 ALDH1A1 392/4885HRH3 3734/4885LOXL2 3039/4885

“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.