SCHEMBL4316805

SCHEMBL4316805

CN1CCN(Cc2cn(Cc3c(Cl)cccc3Cl)c3ccc(NC(=O)Oc4ccccc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTR6 P50406 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39

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
SCHEMBL3386016 0.92 CACNB4 (0.46) GAAALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4178385 0.85 F2R (0.50) GAAALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL25802168 0.81 GAA (0.57) GAANPSR1ALDH1A1KDM4ENPC1
SCHEMBL3383808 0.78 GAA (0.50) GAANPSR1ALDH1A1KDM4ENPC1
SCHEMBL25802440 0.77 GAA (0.57) GAANPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL23240068 0.75 GAA (0.52) GAANPSR1ALDH1A1NPC1RAB9A
SCHEMBL29716288 0.75 GAA (0.52) GAANPSR1ALDH1A1NPC1RAB9A
SCHEMBL3386168 0.74 POLB (0.48) ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4
SCHEMBL4174366 0.74 NPY5R (0.46) GAANPSR1ALDH1A1KDM4EPOLB
SCHEMBL16629103 0.73 POLB (0.55) ALDH1A1CYP2C19NPC1RAB9APOLB

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-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — 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
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 (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 GAA 3918/4885NPSR1 759/4885ALDH1A1 2230/4885
US-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 GAA 3724/4885NPSR1 444/4885ALDH1A1 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.

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