SCHEMBL4724798

SCHEMBL4724798

CNC(=O)c1sc2cnccc2c1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
NCOA1 Q15788 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RCE1 Q9Y256 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5622407 0.83 KDM4E (0.45) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4724459 0.79 KDM4E (0.70) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4791530 0.79 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4722428 0.78 KDM4E (0.48) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4722119 0.77 KDM4E (0.43) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4766739 0.75 CNR1 (0.44) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4765975 0.74 KDM4E (0.46) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4722564 0.72 BRAF (0.50) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL24091065 0.71 KDM4E (0.52) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL14566768 0.71 BRAF (0.61) ALDH1A1HPGDKDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 1842/4885HPGD 2204/4885KDM4E 3956/4885

“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.