SCHEMBL21823951

SCHEMBL21823951

FC(F)(F)c1ccc2cc(-c3csc(NC4CC4)n3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NFKB1 P19838 3/20 0.43
▸ NFKB2 Q00653 3/20 0.43
▸ RELA Q04206 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ STAT1 P42224 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TYR P14679 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ CSNK2A1 P68400 2/20 0.37
▸ CXCR3 P49682 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL21823815 0.76 HPGDS (0.42) NPC1RAB9AMAPT
SCHEMBL2396628 0.76 TYR (0.47) NPC1RAB9AALDH1A1TYRALOX5
SCHEMBL29546111 0.74 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21823801 0.72 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21823768 0.71 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21823777 0.71 KDM4E (0.42) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL21823796 0.71 CYP19A1 (0.45) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL12072711 0.68 KIF11 (0.50) NPC1RAB9ATYR
SCHEMBL29546290 0.67 FAAH (0.49) —
SCHEMBL25140729 0.65 KCNH2 (0.52) NPC1RAB9AKDM4ENPY5RALOX5

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 NPC1 4515/4885RAB9A 3925/4885SMN1; SMN2 2370/4885

“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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