SCHEMBL3592668

SCHEMBL3592668

Cn1nnc(-c2cc(C(=O)O)sc2-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.40
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
GRM5 P41594 6/20 0.39
KMT2A Q03164 1/20 0.38
TYK2 P29597 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
MAPK14 Q16539 2/20 0.36
F2 P00734 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL3597593 0.85 LMNA (0.44) KDM4EALDH1A1GRM5KMT2AMAPK14
SCHEMBL3613736 0.82 MAPK14 (0.46) KDM4EALDH1A1KMT2AMAPK14RAB9A
SCHEMBL3615683 0.80 KDM4E (0.44) KDM4EALDH1A1KDM6BKDM4AKDM5C
SCHEMBL3606735 0.79 TRPM8 (0.41) KDM4EALDH1A1NPC1RAB9A
SCHEMBL3609477 0.78 MAPK14 (0.58) KDM4EALDH1A1MAPK14
SCHEMBL3605195 0.76 TRPM8 (0.55) KDM4EALDH1A1KDM4CMAPK14
SCHEMBL3605131 0.75 OPRD1 (0.54) KDM4EALDH1A1MAPK14NPC1RAB9A
SCHEMBL3614033 0.75 MAPK8 (0.37) KDM4EALDH1A1KMT2AMAPK14RAB9A
SCHEMBL3601669 0.75 MAPK1 (0.50) KDM4EALDH1A1NPC1RAB9A
SCHEMBL3585013 0.72 TP53 (0.55) KDM4EGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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 (1 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 KDM4E 4236/4885ALDH1A1 4295/4885KDM6B 2991/4885

“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.