SCHEMBL29546434

SCHEMBL29546434

Clc1ccc2cc(-c3csc(C4=CCNCC4)n3)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ HTR2C P28335 4/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ MAPT P10636 5/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ F2RL3 Q96RI0 2/20 0.37
▸ HTR6 P50406 4/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ INPPL1 O15357 1/20 0.34

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
Hydrochloric Acid SCHEMBL29545854 0.99 HTR2C (0.42) SIGMAR1HTR2CCYP19A1MAPTLMNA
SCHEMBL10902231 0.73 SIGMAR1 (0.51) SIGMAR1HTR2CMAPTHTR6HTR1B
SCHEMBL29546491 0.72 RAB9A (0.46) CYP19A1MAPTLMNARXFP1F2RL3
SCHEMBL29546326 0.72 CYP19A1 (0.44) CYP19A1MAPTLMNARXFP1F2RL3
SCHEMBL21823785 0.72 CYP19A1 (0.47) CYP19A1MAPTLMNARXFP1F2RL3
SCHEMBL21824294 0.71 CYP19A1 (0.42) CYP19A1MAPTLMNARXFP1F2RL3
SCHEMBL2358010 0.71 SIGMAR1 (0.58) SIGMAR1HTR2CCYP19A1MAPTLMNA
SCHEMBL29546442 0.70 GPR119 (0.49) F2RL3
SCHEMBL29546209 0.68 F2RL3 (0.43) CYP19A1MAPTLMNARXFP1F2RL3
Hydrochloric Acid SCHEMBL8709798 0.68 DRD4 (0.53) SIGMAR1HTR2CMAPTHTR6HTR1B

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 2 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

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 SIGMAR1 4879/4885HTR2C 2452/4885CYP19A1 2345/4885

“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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