SCHEMBL1722407

SCHEMBL1722407

O=C(NCc1cccs1)c1cccnc1S

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
HPGD P15428 11/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GLA P06280 1/20 0.56
HTT P42858 1/20 0.54
PSMD14 O00487 1/20 0.53
POLB P06746 3/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL27815171 0.84 KDM4E (0.70) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL12907922 0.84 KDM4E (0.70) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL2201945 0.77 EGLN1 (0.66) KDM4EHPGDALDH1A1HSD17B10PSMD14
SCHEMBL27934811 0.77 KDM4E (0.68) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL16598147 0.76 HPGD (0.61) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL7375869 0.76 PDE4A (0.61) KDM4EHPGDKMT2AGAA
SCHEMBL2751542 0.76 ALDH1A1 (0.72) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL2750373 0.76 KDM4E (0.63) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL2401416 0.76 HPGD (0.71) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL18541884 0.75 PSMD14 (0.74) KDM4EHPGDMAPTALDH1A1MEN1

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 11 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 disclosed
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
EP-2406226-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
US-8084470-B2 Substituted nicotinamide compounds and uses thereof GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
WO-2010102809-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 US disclosed
EP-2188258-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS Grünenthal GmbH (DE) 2010-05-26 EP disclosed
WO-2009036938-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS Grünenthal GmbH (DE) 2009-03-26 WO disclosed
US-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF NNT, NAMPT, NADK KDM4E 2156/4885HPGD 11/4885MAPT 354/4885
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KDM4E 1407/4885HPGD 651/4885MAPT 216/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KDM4E 708/4885HPGD 508/4885MAPT 3625/4885

“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.