SCHEMBL17398596

SCHEMBL17398596

OCc1ccc(Cc2cccc(Br)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
XDH P47989 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PTK2 Q05397 1/20 0.37
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL155857 0.83 TAAR1 (0.46) TAAR1IDO1AGXTHCAR2MAOB
SCHEMBL9338807 0.77 TDP1 (0.50) KDM4EALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL17398481 0.76 ALDH1A1 (0.46) TAAR1IDO1AGXTHCAR2KDM4E
SCHEMBL93041 0.75
SCHEMBL9200966 0.74 TAAR1 (0.60) TAAR1IDO1AGXTHCAR2ALDH1A1
SCHEMBL17398568 0.74 HTT (0.65) KDM4EALDH1A1MAPTSMN1; SMN2
Alcohol SCHEMBL28743128 0.73 TDP1 (0.46) KDM4EALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL901053 0.72 ALDH1A1 (0.50) KDM4EALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL2797369 0.71 TAAR1 (0.44) TAAR1IDO1AGXTMAOBTDP1
Ethylene SCHEMBL27825961 0.71 TAAR1 (0.52) TAAR1IDO1AGXTXDHMAOB

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 31 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
CN-106999479-B Heteroaryl compounds useful as inhibitors of SUMO activating enzyme 米伦纽姆医药公司 2021-07-16 CN 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-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 (5 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 TAAR1 4340/4885IDO1 2009/4885AGXT 1127/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TAAR1 4340/4885IDO1 2009/4885AGXT 1127/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 TAAR1 4340/4885IDO1 2009/4885AGXT 1127/4885
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TAAR1 4340/4885IDO1 2009/4885AGXT 1127/4885
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TAAR1 4340/4885IDO1 2009/4885AGXT 1127/4885

“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.