SCHEMBL6893839

SCHEMBL6893839

NC(=S)c1ccc(Br)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
DGAT1 O75907 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PLAU P00749 1/20 0.38
CTSL P07711 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
RAD52 P43351 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL31231782 0.83 ALDH1A1 (0.50) ALDH1A1CTSLMEN1MAPTKMT2A
SCHEMBL27634539 0.81 ALDH1A1 (0.43) ALDH1A1FLT1FLT4KDRMEN1
SCHEMBL26476222 0.79 C1S (0.44) ALDH1A1DGAT1FLT1FLT4KDR
SCHEMBL6897299 0.79 RAB9A (0.47) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL1328959 0.79 DGAT1 (0.60) ALDH1A1DGAT1FLT1FLT4KDR
SCHEMBL2026918 0.78 TSHR (0.54) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL31016399 0.78 TSHR (0.54) ALDH1A1MEN1MAPTKMT2AHPGD
Hydrogen Sulfide SCHEMBL28084823 0.78 DGAT1 (0.58) ALDH1A1DGAT1FLT1FLT4KDR
SCHEMBL20428633 0.77 ALDH1A1 (0.42) ALDH1A1DGAT1FLT1FLT4KDR
SCHEMBL11821361 0.77 ALDH1A1 (0.45) ALDH1A1DGAT1PLAUCTSLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
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 ALDH1A1 3522/4885DGAT1 3117/4885FLT1 2809/4885

“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.