SCHEMBL19059582

SCHEMBL19059582

NC(=S)N/N=C1\C(=O)c2cccc3cccc1c23

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ MAPT P10636 4/20 0.69
▸ HTT P42858 3/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ POLB P06746 4/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ NR4A1 P22736 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PTK2B Q14289 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ CES2 O00748 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ PABPC1 P11940 2/20 0.43

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
SCHEMBL19059562 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL14257389 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13856616 0.73 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL17988345 0.72 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL16210519 0.72 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL9342698 0.72 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL19472591 0.70 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL28047900 0.69 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL18803237 0.69 ALDH1A1 (0.89) MEN1KMT2AALDH1A1MAPTHTT
Acenaphthoquinone SCHEMBL29586645 0.69 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTHTT

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
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 — — US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 — — 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 (2 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 MEN1 4500/4885KMT2A 2334/4885ALDH1A1 1480/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB MEN1 3749/4885KMT2A 2011/4885ALDH1A1 2525/4885

“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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