SCHEMBL2752069

SCHEMBL2752069

c1ccc(Cc2ccc3cccnc3c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR4A2 P43354 1/20 0.47
PDE10A Q9Y233 1/20 0.47
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL28205301 0.87 L3MBTL1 (0.51) L3MBTL1ALDH1A1HTTCASP1PDE10A
SCHEMBL21539921 0.85 PDE10A (0.60) CYP3A4ALDH1A1HTTMEN1CASP1
SCHEMBL30978218 0.84 L3MBTL1 (0.56) L3MBTL1HTTCYP1A2RAB9ANPC1
SCHEMBL2750291 0.84 L3MBTL1 (0.56) L3MBTL1HTTCYP1A2RAB9ANPC1
SCHEMBL2955790 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1HTTMEN1CASP1
SCHEMBL25301316 0.81 ALDH1A1 (0.46) L3MBTL1CYP3A4ALDH1A1HTTMEN1
SCHEMBL21638012 0.77 CHRM2 (0.60) L3MBTL1CYP3A4ALDH1A1HTTMEN1
SCHEMBL28089680 0.77 NR4A2 (0.66) L3MBTL1CYP3A4ALDH1A1HTTMEN1
SCHEMBL8918269 0.76 NR4A2 (0.51) CYP3A4ALDH1A1HTTMEN1CASP1
SCHEMBL15081590 0.76 L3MBTL1 (0.58) L3MBTL1CYP3A4ALDH1A1CYP1A2CYP2C19

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-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 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 (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-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 L3MBTL1 3662/4885CYP3A4 900/4885ALDH1A1 2196/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 L3MBTL1 4709/4885CYP3A4 862/4885ALDH1A1 3206/4885

“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.