SCHEMBL1721511

SCHEMBL1721511

Cc1ccnc(SCCCc2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ KDM5B Q9UGL1 3/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ KDM3B Q7LBC6 1/20 0.36
▸ HIF1AN Q9NWT6 1/20 0.36

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
SCHEMBL2751953 0.82 POLB (0.41) SMN1; SMN2NPC1RAB9ACNR1CNR2
SCHEMBL2750531 0.79 ALDH1A1 (0.48) SMN1; SMN2KDM4ETP53LMNAALDH1A1
SCHEMBL1721214 0.78 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ADHODHKDM5B
SCHEMBL1721816 0.77 RAB9A (0.48) SMN1; SMN2NPC1RAB9ACDC7DBF4
SCHEMBL2130737 0.74 GAA (0.39) SMN1; SMN2NPC1RAB9AKDM4EL3MBTL1
SCHEMBL2749850 0.69 HPGD (0.53) SMN1; SMN2NPC1RAB9ACNR1CNR2
SCHEMBL31214415 0.69 L3MBTL1 (0.42) SMN1; SMN2NPC1RAB9AKDM4EL3MBTL1
SCHEMBL2749522 0.69 NPC1 (0.44) SMN1; SMN2NPC1RAB9ACNR1CNR2
SCHEMBL12983447 0.68 AGTR1 (0.42) CNR1CNR2KDM5BKDM5AKDM4C
SCHEMBL2750547 0.68 KMT2A (0.58) SMN1; SMN2NPC1RAB9AL3MBTL1LMNA

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 SMN1; SMN2 580/4885NPC1 1123/4885RAB9A 2218/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 SMN1; SMN2 3433/4885NPC1 604/4885RAB9A 3683/4885

“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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