SCHEMBL672776

SCHEMBL672776

O=C=Nc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.49
CYP3A4 P08684 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 3/20 0.48
SRD5A2 P31213 1/20 0.47
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL29648833 1.00 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL543138 0.91 MAPK1 (0.48) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL9232010 0.89 MAPK1 (0.44) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL11231604 0.83 MAPK1 (0.48) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL5412264 0.83 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL28651125 0.81 METAP1 (0.44) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL6241465 0.80 CYP1A2 (0.59) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL1169190 0.80 CYP3A4 (0.41) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL2168127 0.80 SMN1; SMN2 (0.57) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL9778379 0.79 MAPT (0.38) CYP1A2CYP3A4ALDH1A1CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN claimed
CN-113354778-A Solid polycarboxylic acid water reducing agent and preparation method thereof 中建西部建设建材科学研究院有限公司 2021-09-07 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250067734-A1 Fluorescent Cellulose Particles ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-02-27 US disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
CN-118119848-A Fluorescent cellulose particles 旭化成株式会社 2024-05-31 CN disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN disclosed
WO-2023089972-A1 FLUORESCENT CELLULOSE PARTICLES 旭化成株式会社 2023-05-25 WO disclosed
US-20050049254-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-03-03 US disclosed
EP-1497260-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-01-19 EP disclosed
WO-2005000826-A1 UREA DERIVATIVES OF PIPERAZINES AND PIPERIDINES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-01-06 WO disclosed
EP-1357139-B1 Acrylic polymer and charge transport material SEKISUI CHEMICAL CO LTD (JP) 2004-12-01 EP disclosed
WO-2004048319-A1 NOVEL BENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-10 WO disclosed
US-20030204036-A1 Acrylic polymer and charge transport material SEKISUI CHEMICAL CO., LTD. 2003-10-30 US disclosed
EP-1357139-A2 Acrylic polymer and charge transport material SEKISUI CHEMICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
US-4618692-A ANTITUMOR AGENTS ASTA-WERKE AKTIENGESELLSCHAFT (DE) 1986-10-21 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-20050049254-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A CYP1A2 1003/4885CYP3A4 1273/4885ALDH1A1 215/4885

“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.