SCHEMBL2129251

SCHEMBL2129251

O=C(O)c1cccnc1CCCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM6B O15054 4/20 0.45
KDM4C Q9H3R0 4/20 0.45
NAPRT Q6XQN6 2/20 0.45
LMNA P02545 1/20 0.45
KDR P35968 1/20 0.44
CYP2C9 P11712 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
SCHEMBL2130083 0.92 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL1722473 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL2131366 0.85 TBXAS1 (0.57) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL1721982 0.84 KMT2A (0.50) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL2749898 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL4005286 0.81 GABRP (0.56) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL2133563 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL4182425 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL7386044 0.79 GABRP (0.51) SMN1; SMN2NPC1RAB9AKDM4ETDP1
SCHEMBL28573045 0.79 KDR (0.46) SMN1; SMN2KDM4ETDP1ALDH1A1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 SMN1; SMN2 808/4885NPC1 964/4885RAB9A 2350/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SMN1; SMN2 808/4885NPC1 964/4885RAB9A 2350/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SMN1; SMN2 808/4885NPC1 964/4885RAB9A 2350/4885

“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.