SCHEMBL7089971

SCHEMBL7089971

CCCc1cccnc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1A P08908 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
TKT P29401 1/20 0.32

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
SCHEMBL7019677 0.89 CYP3A4 (0.40) GRM5TRIM24TRIM33ALDH1A1GAA
SCHEMBL3800733 0.88 TDP1 (0.41) KDM4EHSD17B10MAPT
SCHEMBL6115316 0.86 TRIM24 (0.39) TRIM24TRIM33HTR1AALDH1A1KDM4E
SCHEMBL7857178 0.86 LIPG (0.44) KDM4EHSD17B10MAPT
Benzene SCHEMBL11824212 0.83 TRIM24 (0.37) TRIM24TRIM33HTR1AALDH1A1KDM4E
SCHEMBL3803823 0.81 TRIM24 (0.36) TRIM24TRIM33ALDH1A1KDM4EGAA
SCHEMBL18995128 0.81 TKT (0.37) TRIM24TRIM33ALDH1A1KDM4EGAA
SCHEMBL10968269 0.80 TRIM24 (0.35) TRIM24TRIM33ALDH1A1KDM4EGAA
SCHEMBL2085063 0.78 GABRA1 (0.42) TRIM24TRIM33ALDH1A1KDM4ECTSS
SCHEMBL4229224 0.78 HTT (0.45) TRIM24TRIM33ADRA2AADRA2BADRA2C

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 8 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
WO-2021083018-A1 PREPARATION METHOD FOR AND APPLICATION OF 3-SUBSTITUTED CHIRAL SPIRO AMINOPHOSPHINE LIGAND ON PYRIDINE RING 浙江九洲药业股份有限公司 2021-05-06 WO 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-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
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed
WO-2001007496-A2 POLYMERS, THEIR PRECURSORS AND PROCESSES FOR PREPARATION THEREOF BP CHEMICALS LIMITED (GB) 2001-02-01 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 (4 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 GRM5 3969/4885TRIM24 1412/4885TRIM33 129/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 GRM5 3969/4885TRIM24 1412/4885TRIM33 129/4885
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 GRM5 3969/4885TRIM24 1412/4885TRIM33 129/4885
US-20160009744-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 GRM5 3969/4885TRIM24 1412/4885TRIM33 129/4885

“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.