SCHEMBL2129407

SCHEMBL2129407

Cc1ccc(Cc2ncccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 1/20 0.59
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
AKR1C3 P42330 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
MYC P01106 1/20 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
SCHEMBL258223 0.87 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1GAALMNAKDM4E
SCHEMBL2750195 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TP53ALDH1A1GAALMNA
SCHEMBL15738996 0.84 KMT2A (0.53) SMN1; SMN2TP53ALDH1A1LMNAKDM4E
SCHEMBL2132167 0.84 KDM5B (0.54) SMN1; SMN2TP53ALDH1A1GAALMNA
SCHEMBL8314979 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TP53ALDH1A1GAALMNA
Lactic Acid SCHEMBL810781 0.81 ALDH1A1 (0.47) SMN1; SMN2TP53ALDH1A1GAALMNA
SCHEMBL2750299 0.81 KDM5A (0.51) SMN1; SMN2ALDH1A1LMNAKDM4ETDP1
Salicylic Acid SCHEMBL810603 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAKDM4ETDP1
SCHEMBL2129607 0.80 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4ETDP1
SCHEMBL11628316 0.78 USP2 (0.54) SMN1; SMN2ALDH1A1GAALMNAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 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 (3 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 SMN1; SMN2 808/4885TP53 4502/4885ALDH1A1 2214/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SMN1; SMN2 808/4885TP53 4502/4885ALDH1A1 2214/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SMN1; SMN2 808/4885TP53 4502/4885ALDH1A1 2214/4885

“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.