SCHEMBL2130737

SCHEMBL2130737

CCSc1nccc(C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31214415 0.81 L3MBTL1 (0.42) GAASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL31214442 0.74 HCRTR2 (0.42) GAASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL1721511 0.74 SMN1; SMN2 (0.40) SMN1; SMN2TP53ALDH1A1KDM4EALOX15
SCHEMBL907852 0.74 NOS3 (0.39) SMN1; SMN2ALDH1A1KDM4EALOX15LMNA
SCHEMBL353204 0.72 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL16611789 0.72 KMT2A (0.37) GAASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL7850351 0.72 NOS2 (0.50) SMN1; SMN2ALDH1A1KDM4ELMNANPC1
SCHEMBL16041735 0.71 HCRTR2 (0.42) GAASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4773044 0.71 ALDH1A1 (0.67) GAASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL2129935 0.71 ALDH1A1 (0.51) GAASMN1; SMN2ALDH1A1LMNAPOLB

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 GAA 3174/4885SMN1; SMN2 808/4885TP53 4502/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 GAA 3174/4885SMN1; SMN2 808/4885TP53 4502/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 GAA 3174/4885SMN1; SMN2 808/4885TP53 4502/4885

“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.

Send feedback