SCHEMBL29409167

SCHEMBL29409167

O=C(O)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
HCAR3 P49019 1/20 0.59
KDM4A O75164 2/20 0.57
KDM5C P41229 2/20 0.57
KDM4B O94953 1/20 0.57
KDM5B Q9UGL1 1/20 0.57
ATM Q13315 1/20 0.57
JAK2 O60674 1/20 0.57
TYK2 P29597 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 2/20 0.54
KDM6B O15054 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
KDM3A Q9Y4C1 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK14 Q16539 1/20 0.52
KCNK3 O14649 1/20 0.51

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
SCHEMBL1569099 1.00 RAB9A (0.62) RAB9ANPC1HCAR3KDM4AKDM5C
SCHEMBL1767522 0.89 RAB9A (0.61) RAB9ANPC1HCAR3ATMJAK2
SCHEMBL7669653 0.85 RAB9A (0.64) RAB9ANPC1HCAR3ATMJAK2
SCHEMBL21867435 0.84 RAB9A (0.60) RAB9ANPC1KDM5CKDM5BATM
SCHEMBL20521961 0.82 SMN1; SMN2 (0.55) RAB9ANPC1KDM5BATMKMT2A
SCHEMBL24349065 0.82 RAB9A (0.61) RAB9ANPC1HCAR3ATMJAK2
SCHEMBL17065565 0.82 NPC1 (0.89) RAB9ANPC1ATMKMT2AMEN1
SCHEMBL30362420 0.82 NPC1 (0.61) RAB9ANPC1ATMJAK2TYK2
SCHEMBL29899082 0.82 NPC1 (0.61) RAB9ANPC1HCAR3ATMJAK2
SCHEMBL28650577 0.82 JAK2 (0.63) RAB9ANPC1ATMJAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP 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-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 RAB9A 2799/4885NPC1 3105/4885HCAR3 2698/4885

“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.