SCHEMBL3377974

SCHEMBL3377974

O=C(Nc1ccc(-n2cccn2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 5/20 0.55
JAK2 O60674 1/20 0.55
TYK2 P29597 1/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
PTPN1 P18031 2/20 0.54
TP53 P04637 2/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HDAC4 P56524 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
MEN1 O00255 1/20 0.53

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
N-Phenylbenzamide SCHEMBL27770845 0.94 HTT (0.55) RAB9ANPC1JAK2TYK2HTT
SCHEMBL4253031 0.94 RAB9A (0.62) RAB9AJAK2TYK2MAPTSMN1; SMN2
SCHEMBL8769758 0.90 ALDH1A1 (0.55) RAB9AMAPTHTTLMNATP53
SCHEMBL13701946 0.90 GAA (0.63) JAK2TYK2MAPTSMN1; SMN2HTT
SCHEMBL8770154 0.90 MEN1 (0.55) RAB9ANPC1MAPTHTTLMNA
SCHEMBL3871686 0.85 GCGR (0.59) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL13701850 0.84 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL21254779 0.82 ALDH1A1 (0.48) RAB9AMAPTHTTLMNATP53
SCHEMBL13701945 0.81 SMN1; SMN2 (0.63) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2401139 0.80 NOTUM (0.53) RAB9ANPC1MAPTSMN1; SMN2LMNA

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-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 RAB9A 1923/4885NPC1 628/4885JAK2 1913/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 RAB9A 3852/4885NPC1 905/4885JAK2 2535/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 RAB9A 1923/4885NPC1 628/4885JAK2 1913/4885

“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.