SCHEMBL8284615

SCHEMBL8284615

Cc1cccc(NCCCO)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
HTT P42858 1/20 0.71
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.50
EGFR P00533 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
CASP6 P55212 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA2A P29274 1/20 0.46
HDAC3 O15379 2/20 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
SCHEMBL10581290 0.95 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10578809 0.93 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1004459 0.89 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30468755 0.89 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.88 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.84 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31519377 0.83 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11115640 0.83 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3440754 0.83 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11159262 0.81 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590575-B Dye intermediate N-ethyl-N-gamma-hydroxy N-propyl m-toluidine and preparation method of esterification product thereof 绍兴君泰纺织科技有限公司 2022-06-03 CN claimed
CN-110590575-A Dye intermediate N-ethyl-N-gamma-hydroxy N-propyl m-toluidine and preparation method of esterification product thereof 绍兴君泰纺织科技有限公司 2019-12-20 CN claimed
CN-102219439-A Chemical two component mortar composition with improved adhesion to the surface of semi-purified and/or wet bore holes in mineral base and use of same HILTI AG 2011-10-19 CN claimed
CN-110590575-B Dye intermediate N-ethyl-N-gamma-hydroxy N-propyl m-toluidine and preparation method of esterification product thereof 绍兴君泰纺织科技有限公司 2022-06-03 CN disclosed
CN-110590575-A Dye intermediate N-ethyl-N-gamma-hydroxy N-propyl m-toluidine and preparation method of esterification product thereof 绍兴君泰纺织科技有限公司 2019-12-20 CN disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
CN-102219439-A Chemical two component mortar composition with improved adhesion to the surface of semi-purified and/or wet bore holes in mineral base and use of same HILTI AG 2011-10-19 CN disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 EP disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
EP-0297710-A1 Disperse dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP disclosed
EP-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 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 (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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 MAPT 4517/4885CYP1A2 604/4885CYP3A4 150/4885

“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.