SCHEMBL2750012

SCHEMBL2750012

O=C(NCCc1ccncc1)c1cccnc1SCCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2751122 0.96 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAACNR1CNR2
SCHEMBL2750955 0.93 NPC1 (0.55) SMN1; SMN2ALDH1A1GAACNR1CNR2
SCHEMBL2750239 0.92 KMT2A (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2750852 0.91 NAMPT (0.49) SMN1; SMN2ALDH1A1GAACNR1CNR2
SCHEMBL2749850 0.91 HPGD (0.53) SMN1; SMN2CNR1CNR2NPC1RAB9A
SCHEMBL2750107 0.88 HSD11B1 (0.48) SMN1; SMN2CNR1CNR2NPC1RAB9A
SCHEMBL2750927 0.88 NAMPT (0.48) SMN1; SMN2ALDH1A1CNR1CNR2NAMPT
SCHEMBL2751500 0.88 HTT (0.54) SMN1; SMN2CNR1CNR2NPC1RAB9A
SCHEMBL2750048 0.87 KMT2A (0.59) SMN1; SMN2ALDH1A1CNR1NPC1RAB9A
SCHEMBL2750295 0.87 NAMPT (0.51) SMN1; SMN2ALDH1A1GAACNR1CNR2

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 9 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-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 — — US 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 SMN1; SMN2 580/4885ALDH1A1 2196/4885GAA 1223/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 SMN1; SMN2 3433/4885ALDH1A1 3206/4885GAA 3496/4885

“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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