SCHEMBL4182812

SCHEMBL4182812

O=C(Nc1ccc2ccn(Cc3c(Cl)cccc3Cl)c2c1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 4/20 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
▸ DOT1L Q8TEK3 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MCHR2 Q969V1 1/20 0.41
▸ MCHR1 Q99705 1/20 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
SCHEMBL3386168 0.92 POLB (0.48) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4178385 0.76 F2R (0.50) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL3386016 0.74 CACNB4 (0.46) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL11976527 0.72 SLC22A12 (0.62) NR1H4
SCHEMBL4316805 0.72 GAA (0.46) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL11175842 0.71 POLB (0.72) POLBALDH1A1KDM4ECYP1A2MAPT
SCHEMBL30063430 0.71 POLB (0.72) POLBALDH1A1KDM4ECYP1A2MAPT
SCHEMBL24969695 0.70 ALDH1A1 (0.63) POLBALDH1A1KDM4ECYP1A2MAPT
SCHEMBL30206829 0.70 ALDH1A1 (0.63) POLBALDH1A1KDM4ECYP1A2MAPT
SCHEMBL8048626 0.69 CYP1A2 (0.76) POLBALDH1A1KDM4ECYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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 4577/4885ALDH1A1 2230/4885KDM4E 2503/4885

“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.

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