SCHEMBL2750895

SCHEMBL2750895

Cc1cccc(CCc2ncccc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
KDM5B Q9UGL1 1/20 0.47
BRS3 P32247 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2132167 0.87 KDM5B (0.54) NR3C2KDM5BBRS3SMN1; SMN2TP53
SCHEMBL2750195 0.84 SMN1; SMN2 (0.58) BRS3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL2749898 0.84 SMN1; SMN2 (0.60) KDM5BSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4039152 0.83 NR3C2 (0.49) NR3C2KDM5BBRS3SMN1; SMN2NPC1
SCHEMBL13962897 0.78 KDM4E (0.51) NR3C2KDM5BKDM4EHTTLMNA
SCHEMBL2628165 0.77 FOLH1 (0.51) BRS3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL258368 0.76 KDM4E (0.53) KDM5BSMN1; SMN2TP53NPC1RAB9A
SCHEMBL6425365 0.75 KMT2A (0.52) NR3C2BRS3SMN1; SMN2TP53NPC1
SCHEMBL4052042 0.75 HTT (0.54) NR3C2BRS3SMN1; SMN2TP53NPC1
SCHEMBL2130083 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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 NR3C2 2065/4885KDM5B 1763/4885BRS3 1564/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 NR3C2 2352/4885KDM5B 1256/4885BRS3 1101/4885

“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.