SCHEMBL31367595

SCHEMBL31367595

Nc1cccc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.55
ADORA2A P29274 3/20 0.55
ALDH1A3 P47895 5/20 0.52
ALDH1A2 O94788 3/20 0.52
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 1/20 0.46
TP53 P04637 2/20 0.46

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
SCHEMBL31367428 0.94 ADORA1 (0.55) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367623 0.94 MAPT (0.52) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367441 0.87 ADORA1 (0.56) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367436 0.87 ADORA1 (0.56) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367556 0.87 ADORA1 (0.56) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367607 0.87 ALDH1A3 (0.63) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367544 0.83 ALDH1A3 (0.52) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367464 0.83 ALDH1A3 (0.52) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367494 0.83 ALDH1A3 (0.56) ADORA1ADORA2AALDH1A3ALDH1A2MAPT
SCHEMBL31367486 0.83 ALDH1A3 (0.52) ADORA1ADORA2AALDH1A3ALDH1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735442-A1 IMIDAZO[1,2-alpha]PYRIDINE COMPOUNDS FOR USE IN TREATING CANCER AND INFLAMMATORY DISEASES AND METHODS TO PREPARE SAID COMPOUNDS Theranib Inc. (CA) 2026-05-06 EP claimed
US-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A THERANIB INC. (CA) 2025-01-09 US claimed
EP-4735442-A1 IMIDAZO[1,2-alpha]PYRIDINE COMPOUNDS FOR USE IN TREATING CANCER AND INFLAMMATORY DISEASES AND METHODS TO PREPARE SAID COMPOUNDS Theranib Inc. (CA) 2026-05-06 EP disclosed
US-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A THERANIB INC. (CA) 2025-01-09 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 (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-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A ALDH2, ALDH3A1, ALDH1A1 ADORA1 1771/4885ADORA2A 1119/4885ALDH1A3 8/4885

“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.