SCHEMBL17410072

SCHEMBL17410072

O=Cc1cc(Cc2cccc(Br)c2)cs1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TAAR1 Q96RJ0 3/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 2/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 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
SCHEMBL11106527 0.83 CALM1 (0.46) ALDH1A1MAPT
SCHEMBL17398331 0.81 PNMT (0.41) ALDH1A1TAAR1IDO1AGXTSMN1; SMN2
SCHEMBL17410228 0.81 MAOA (0.41) MAOBMAOAALDH1A1TAAR1IDO1
SCHEMBL29991727 0.81 PNMT (0.41) ALDH1A1TAAR1IDO1AGXTSMN1; SMN2
SCHEMBL17410399 0.81 LTA4H (0.48) MAOBMAOAALDH1A1TAAR1IDO1
SCHEMBL17398319 0.81 IDO1 (0.38) IDO1SMN1; SMN2MAPT
SCHEMBL17410071 0.78 LTA4H (0.51) ALDH1A1TAAR1IDO1AGXT
SCHEMBL17398373 0.76 SLC18A3 (0.37) MAOBMAOAALDH1A1
SCHEMBL9200966 0.75 TAAR1 (0.60) MAOBALDH1A1TAAR1IDO1AGXT
SCHEMBL17410079 0.75 PARP1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
EP-3164130-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2019-08-07 EP disclosed
EP-3517112-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-07-31 EP disclosed
US-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-07-02 US disclosed
US-9962386-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-05 US disclosed
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-05 US disclosed
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-14 US disclosed
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-14 US disclosed
WO-2016004136-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME DUFFEY MATTHEW O (US) 2016-01-07 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 (6 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-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme SAE1, SUMO1, SUMO3 MAOB 1453/4885MAOA 1035/4885ALDH1A1 1512/4885
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 MAOB 1453/4885MAOA 1035/4885ALDH1A1 1512/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 MAOB 1453/4885MAOA 1035/4885ALDH1A1 1512/4885
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 MAOB 1453/4885MAOA 1035/4885ALDH1A1 1512/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 MAOB 1453/4885MAOA 1035/4885ALDH1A1 1512/4885
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 MAOB 1453/4885MAOA 1035/4885ALDH1A1 1512/4885

“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.