SCHEMBL1721816

SCHEMBL1721816

Cc1ccnc(SCCCc2ccc(F)cc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 5/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL1721511 0.77 SMN1; SMN2 (0.40) RAB9AKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2751953 0.70 POLB (0.41) RAB9AALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL1721214 0.66 SMN1; SMN2 (0.69) RAB9AKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL27158634 0.65 SMN1; SMN2 (0.40) RAB9AKDM4EALDH1A1SMN1; SMN2RECQL
SCHEMBL5641000 0.64 HTT (0.40) ALDH1A1POLBTSHRHTTMAPK14
SCHEMBL17508486 0.63 SMN1; SMN2 (0.68) RAB9AKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL26695861 0.63 TAAR1 (0.47) L3MBTL1
SCHEMBL15807741 0.62 MAOA (0.40) RAB9AALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL16936191 0.62 KDM4E (0.49) RAB9AKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8411721 0.61 MAOA (0.58) KDM4EHSD17B10TSHR

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 7 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
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

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 RAB9A 2218/4885KDM4E 1407/4885L3MBTL1 3662/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 RAB9A 3683/4885KDM4E 708/4885L3MBTL1 4709/4885

“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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