SCHEMBL17398481

SCHEMBL17398481

O=Cc1ccc(Cc2cccc(Br)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
CYP2A6 P11509 1/20 0.38
CTSL P07711 1/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1680753 0.83 ALDH1A1 (0.47) ALDH1A1TSHRMAOBMAOATAAR1
SCHEMBL1244130 0.81 ALDH1A1 (0.57) ALDH1A1TSHRCYP2A6CTSLSMN1; SMN2
SCHEMBL1680877 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMAOBMAOATAAR1
SCHEMBL155857 0.76 TAAR1 (0.46) MAOBTAAR1IDO1AGXTPARP1
SCHEMBL17398596 0.76 TAAR1 (0.42) ALDH1A1MAOBTAAR1IDO1AGXT
SCHEMBL6140809 0.76 CYP2A6 (0.57) TSHRMAOBMAOACYP2A6AGXT
SCHEMBL17398298 0.75 RXRA (0.41) ALDH1A1MAOBMAOATAAR1CYP2A6
SCHEMBL14324626 0.72 ALDH1A1 (0.60) ALDH1A1MAOBMAOASMN1; SMN2CYP2D6
SCHEMBL509869 0.71 ALDH1A1 (0.53) ALDH1A1TSHRMAOBMAOATAAR1
SCHEMBL9200966 0.71 TAAR1 (0.60) ALDH1A1MAOBTAAR1IDO1AGXT

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 30 patents — showing the first 20. 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
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2022-10-20 US disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP 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
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
US-20200085821-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3164130-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2017-05-10 EP 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-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
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
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-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885TSHR 3687/4885MAOB 1453/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885TSHR 3687/4885MAOB 1453/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885TSHR 3687/4885MAOB 1453/4885
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885TSHR 3687/4885MAOB 1453/4885
US-20200085821-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885TSHR 3687/4885MAOB 1453/4885
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885TSHR 3687/4885MAOB 1453/4885

“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.