SCHEMBL2751209

SCHEMBL2751209

Cc1cc(CCCSc2ncccc2C(=O)NCc2cccs2)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPT P10636 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HPGD P15428 6/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CPT1A P50416 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL2751546 0.90 ALDH1A1 (0.62) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2750057 0.86 ALDH1A1 (0.64) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2750010 0.85 ALDH1A1 (0.58) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2750871 0.85 ALDH1A1 (0.67) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL3649059 0.82 ALDH1A1 (0.71) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2749474 0.82 ALDH1A1 (0.67) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2750390 0.82 ALDH1A1 (0.67) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2751542 0.82 ALDH1A1 (0.72) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL4186133 0.82 ALDH1A1 (0.65) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL2751786 0.82 ALDH1A1 (0.64) KMT2ALMNAALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 — — EP claimed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 — — US claimed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 — — US claimed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — US claimed
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 KMT2A 254/4885LMNA 1001/4885ALDH1A1 2196/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KMT2A 422/4885LMNA 461/4885ALDH1A1 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.

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