SCHEMBL4766739

SCHEMBL4766739

O=C(O)Nc1c(C(=O)N2CCOCC2)sc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
NAMPT P43490 2/20 0.43
HPGD P15428 6/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 3/20 0.41
ALOX15 P16050 2/20 0.41
DUSP3 P51452 1/20 0.41
SELE P16581 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR2C P28335 1/20 0.40
ICAM1 P05362 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 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
SCHEMBL5622141 0.84 SELE (0.42) CNR1NAMPTHPGDKMT2AMEN1
SCHEMBL5622089 0.82 HPGD (0.54) CNR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL4724798 0.75 ALDH1A1 (0.48) NAMPTHPGDALDH1A1HSD17B10SELE
SCHEMBL4762789 0.74 BRAF (0.70)
SCHEMBL4722119 0.72 KDM4E (0.43) NAMPTHPGDALDH1A1HSD17B10RAB9A
SCHEMBL4791530 0.71 ALDH1A1 (0.49) NAMPTHPGDALDH1A1HSD17B10SELE
SCHEMBL4722428 0.70 KDM4E (0.48) HPGDKMT2AALDH1A1HSD17B10RAB9A
SCHEMBL24455324 0.68 HSD17B10 (0.48) HPGDKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL30555044 0.68 HSD17B10 (0.48) HPGDKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4722564 0.67 BRAF (0.50) CNR1NAMPTHPGDKMT2AMEN1

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 CNR1 3831/4885NAMPT 1600/4885HPGD 2204/4885

“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.