SCHEMBL3386168

SCHEMBL3386168

O=C(Nc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ NR1I2 O75469 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NTSR1 P30989 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4182812 0.92 POLB (0.48) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL3386016 0.76 CACNB4 (0.46) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL1148608 0.76 NOTUM (0.56) POLBALDH1A1KDM4ECYP2C19CYP3A4
SCHEMBL28576841 0.74 SLC22A12 (0.50) —
SCHEMBL4178385 0.74 F2R (0.50) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4316805 0.74 GAA (0.46) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL3386295 0.73 ALDH1A1 (0.52) POLBALDH1A1KDM4ECYP1A2MAPT
SCHEMBL30185538 0.73 HDAC6 (0.52) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL28580014 0.73 HDAC6 (0.52) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL6085966 0.71 KCNQ3 (0.55) NR1I2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
EP-1806141-B1 PAR-2 ANTAGONISTS KOWA CO (JP) 2010-12-01 — — EP disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
EP-1806355-A1 PROCESS FOR PRODUCTION OF (1,3-DISUBSTITUTED INDOLYL)- UREA DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Kowa Company Ltd. (JP) 2007-07-11 — — EP disclosed
EP-1806141-A1 PAR-2 ANTAGONISTS Kowa Company, Ltd. (JP) 2007-07-11 — — 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 (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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 POLB 4577/4885NR1I2 3861/4885ALDH1A1 2230/4885
US-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 POLB 3605/4885NR1I2 905/4885ALDH1A1 3389/4885

“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.

Send feedback