SCHEMBL15976010

SCHEMBL15976010

COC(=O)c1cc(-c2ccc(OC)c(F)c2)nc(-c2ccc(C)cc2)c1N=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G2A P14555 2/20 0.37
SYK P43405 2/20 0.36
CTSA P10619 4/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
JAK2 O60674 2/20 0.35
CASP3 P42574 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
SCHEMBL15976449 0.92 DHODH (0.41) DHODHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15976003 0.85 PLA2G2A (0.50) DHODHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL111145 0.82 DHODH (0.48) DHODHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15800320 0.80 PLA2G2A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15976007 0.77 PLA2G2A (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL141481 0.74 DHODH (0.48) DHODHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15800322 0.72 PLA2G2A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15976008 0.71 KMO (0.40) DHODHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15976006 0.71 PLA2G2A (0.48) DHODHALDH1A1SMN1; SMN2KDM4EPLA2G2A
SCHEMBL15800334 0.70 SCN2A (0.40) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 DHODH 3348/4885ALDH1A1 1464/4885NPC1 2156/4885

“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.