SCHEMBL21823801

SCHEMBL21823801

FC(F)(F)c1ccc2cc(-c3csc(N4CCOCC4)n3)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.67
▸ RAB9A P51151 7/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ MAPT P10636 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ NFKB2 Q00653 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ AR P10275 12/20 0.64
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ BRAF P15056 1/20 0.47

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
SCHEMBL29546111 0.91 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL12692378 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL17014764 0.78 AR (1.00) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21823951 0.72 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21823768 0.70 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21823815 0.70 HPGDS (0.42) NPC1RAB9AMAPTMAPK1MEN1
SCHEMBL12692479 0.69 RAB9A (0.79) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27413117 0.69 AR (0.69) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21823777 0.69 KDM4E (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL21823796 0.69 CYP19A1 (0.45) NPC1RAB9AMAPTKDM4EALDH1A1

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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