SCHEMBL2751002

SCHEMBL2751002

CC(CCc1ccc(F)cc1)Sc1ncccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP2C9 P11712 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHODH Q02127 1/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAPRT Q6XQN6 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
SCHEMBL2750439 0.90 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ATP53ATM
SCHEMBL2751525 0.85 KMT2A (0.56) ATMALDH1A1CYP2C9MAPTKMT2A
SCHEMBL2751338 0.84 KMT2A (0.58) ATMALDH1A1GAAMAPTTDP1
SCHEMBL2751198 0.80 ATM (0.46) ATMALDH1A1GAAKMT2AKDM4E
SCHEMBL2751714 0.78 KMT2A (0.50) SMN1; SMN2ATMALDH1A1CYP2C9KMT2A
SCHEMBL2751528 0.78 KMT2A (0.50) SMN1; SMN2ATMALDH1A1CYP2C9MAPT
SCHEMBL15669275 0.78 MAPT (0.60) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL1721214 0.77 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL2750799 0.76 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL2750458 0.76 ATM (0.42) ATMALDH1A1GAAKMT2AKDM4E

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 SMN1; SMN2 580/4885NPC1 1123/4885RAB9A 2218/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 SMN1; SMN2 3433/4885NPC1 604/4885RAB9A 3683/4885

“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.