SCHEMBL21823776

SCHEMBL21823776

Clc1cc(Br)ccc1-c1nc(-c2cc3ccccc3o2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.57
▸ MAPT P10636 9/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MAOB P27338 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOA P21397 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.44

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
SCHEMBL17336560 0.76 MAOB (0.63) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL21823774 0.76 CYP19A1 (0.69) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL4505571 0.75 TP53 (0.56) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL3071395 0.72 MAPT (0.64) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL2149843 0.71 MAOB (0.61) MAPTNPC1RAB9AALDH1A1MAOB
SCHEMBL5328162 0.70 NPC1 (1.00) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL11672377 0.70 MAOB (0.72) MAPTNPC1RAB9AMAOBMEN1
SCHEMBL21823816 0.70 CYP19A1 (0.61) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL23367876 0.69 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL12647915 0.69 NPC1 (0.69) CYP19A1MAPTNPC1RAB9AALDH1A1

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 CYP19A1 2345/4885MAPT 1816/4885NPC1 4515/4885

“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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