SCHEMBL3060427

SCHEMBL3060427

CC(C)C(=O)Nc1ccc(C#N)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.50
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 2/20 0.49
IDO1 P14902 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.47
DEGS1 O15121 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP30 Q70CQ3 1/20 0.45
EP300 Q09472 2/20 0.45

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
SCHEMBL1483697 0.88 MEN1 (0.51) MEN1KMT2ATMPRSS4IDO1DEGS1
SCHEMBL1484026 0.84 MEN1 (0.53) MEN1KMT2ATMPRSS4IDO1DEGS1
SCHEMBL25990087 0.84 MEN1 (0.48) MEN1KMT2ATMPRSS4ALDH1A1IDO1
SCHEMBL1430551 0.82 KMT2A (0.57) MEN1KMT2ATMPRSS4IDO1DEGS1
SCHEMBL19116806 0.81 SMN1; SMN2 (0.51) MEN1KMT2ATMPRSS4RAB9ANPC1
SCHEMBL3715011 0.80 MEN1 (0.58) MEN1KMT2ATMPRSS4RAB9AIDO1
SCHEMBL24932285 0.80 PSEN1 (0.49) ALDH1A1RAB9AMAPTEP300
SCHEMBL6610291 0.79 MEN1 (0.57) MEN1KMT2ATMPRSS4ALDH1A1RAB9A
SCHEMBL24932330 0.78 ALDH1A1 (0.49) ALDH1A1RAB9AEP300
SCHEMBL18838871 0.78 USP30 (0.54) MEN1KMT2ATMPRSS4RAB9ANPC1

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
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 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 (2 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3209/4885KMT2A 1870/4885TMPRSS4 3091/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 MEN1 1485/4885KMT2A 1349/4885TMPRSS4 4375/4885

“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.