SCHEMBL1722473

SCHEMBL1722473

O=C(O)c1cccnc1CCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 1/20 0.51
KDM6B O15054 3/20 0.51
KDM4C Q9H3R0 3/20 0.51
ASPH Q12797 3/20 0.50
KDM8 Q8N371 3/20 0.50
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4D Q6B0I6 1/20 0.47

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
SCHEMBL2130083 0.97 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL2749898 0.90 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL2129251 0.89 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL1721982 0.88 KMT2A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2131366 0.86 TBXAS1 (0.57) SMN1; SMN2NPC1RAB9AKDM6BKDM4C
SCHEMBL4182425 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL7386044 0.84 GABRP (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL9502624 0.83 FAAH (0.57) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5002869 0.83 GABRP (0.50) SMN1; SMN2ALDH1A1KDM4ETDP1MAPT
SCHEMBL5002408 0.83 GABRP (0.50) SMN1; SMN2ALDH1A1KDM4ETDP1MAPT

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.