SCHEMBL4581854

SCHEMBL4581854

c1ccc(COn2cnnn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
TSHR P16473 3/20 0.40
HMOX1 P09601 1/20 0.40
ALDH1A1 P00352 5/20 0.39
IDO1 P14902 1/20 0.38
KMT2A Q03164 2/20 0.37
AGXT P21549 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
DHFR P00374 2/20 0.36
KDM4E B2RXH2 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3484265 0.71 HMOX1 (0.48) NOTUMTSHRHMOX1ALDH1A1KMT2A
SCHEMBL4585176 0.71 NOTUM (0.45) NOTUMTSHRHMOX1ALDH1A1KMT2A
SCHEMBL16611773 0.68 ALDH1A1 (0.50) HMOX1ALDH1A1KMT2ANPSR1MEN1
SCHEMBL99339 0.68 TSHR (0.41) TSHRALDH1A1IDO1AGXTDHFR
SCHEMBL28598923 0.67 TSHR (0.50) TSHRALDH1A1IDO1AGXTCA1
SCHEMBL2532477 0.67 CYP19A1 (0.55) NOTUMHMOX1ALDH1A1KMT2AMEN1
SCHEMBL3359631 0.67 TSHR (0.44) TSHRALDH1A1IDO1KMT2AAGXT
SCHEMBL29946018 0.66 TSHR (0.39) TSHRALDH1A1IDO1AGXTDHFR
SCHEMBL9978689 0.65 CYP19A1 (0.53) NOTUMHMOX1ALDH1A1KMT2AMEN1
SCHEMBL25418589 0.64 TSHR (0.38) TSHRALDH1A1IDO1KMT2AAGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB NOTUM 3734/4885TSHR 4140/4885HMOX1 2218/4885

“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.