SCHEMBL5555262

SCHEMBL5555262

COCCCNC(=O)c1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
KMT2A Q03164 7/20 0.68
MEN1 O00255 4/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
RAB9A P51151 1/20 0.65
EPHX2 P34913 2/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
THRB P10828 1/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
USP2 O75604 1/20 0.60

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
SCHEMBL29634495 0.91 KMT2A (0.76) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL1116738 0.91 KMT2A (0.76) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL9809561 0.88 RAB9A (0.76) KMT2AMEN1CYP1A2CYP3A4TDP1
SCHEMBL17822214 0.88 EPHX2 (0.75) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4189041 0.87 KMT2A (0.64) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5553203 0.86 KMT2A (0.72) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4189064 0.86 KMT2A (0.64) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5483064 0.86 EPHX2 (0.73) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL9763664 0.86 EPHX2 (0.73) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2227019 0.86 KMT2A (0.65) GAAKMT2AMEN1CYP1A2CYP3A4

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
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO claimed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI GAA 2671/4885KMT2A 661/4885MEN1 1496/4885

“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.