SCHEMBL21823780

SCHEMBL21823780

O=[N+]([O-])c1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ CYP19A1 P11511 2/20 0.42
▸ MYC P01106 1/20 0.41
▸ MAX P61244 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL21823779 1.00 F2RL3 (0.45) F2RL3CHEK1LIMK1CDK5CLK4
SCHEMBL21823773 0.80 CYP19A1 (0.47) F2RL3CYP19A1ALDH1A1MAPTRAB9A
SCHEMBL21823785 0.80 CYP19A1 (0.47) F2RL3CYP19A1ALDH1A1MAPTRAB9A
SCHEMBL29546554 0.78 EIF4E (0.44) F2RL3CYP19A1
SCHEMBL21823767 0.78 EIF4E (0.44) F2RL3CYP19A1
SCHEMBL21823768 0.77 CYP19A1 (0.44) CDK5CYP19A1ALDH1A1MAPTRAB9A
SCHEMBL29545885 0.76 CHEK1 (0.72) CHEK1LIMK1CDK5CLK4ALDH1A1
SCHEMBL21823783 0.75 CYP19A1 (0.56) CYP19A1ALDH1A1MAPTRAB9ANPC1
SCHEMBL7253210 0.72 CYP19A1 (0.72) CYP19A1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL21823820 0.71 CYP19A1 (0.56) CYP19A1ALDH1A1MAPTRAB9AKDM4E

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-3860994-B1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-08-14 — — EP disclosed
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-04-07 — — US disclosed
EP-3860994-A1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE The University of British Columbia (CA) 2021-08-11 — — EP disclosed
WO-2020069625-A1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-09 — — 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-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use BRDT, CBFB, CREBBP F2RL3 3912/4885CHEK1 202/4885LIMK1 772/4885

“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.

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