SCHEMBL939928

SCHEMBL939928

O=C(O)c1cccc(-c2ncco2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
HPGDS O60760 1/20 0.53
KMO O15229 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DDT P30046 1/20 0.49
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KDM4C Q9H3R0 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KDM6B O15054 2/20 0.45
KDM4A O75164 2/20 0.45
KDM5C P41229 2/20 0.45
KDM2A Q9Y2K7 2/20 0.45
KDM3A Q9Y4C1 2/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL31558442 1.00 KEAP1 (0.55) KEAP1HPGDSKMOL3MBTL1NPC1
SCHEMBL6573037 0.86 PRKCI (0.50) HPGDSNPC1RAB9AGLRA3GLRB
SCHEMBL9507238 0.86 BRD4 (0.48) HPGDSGLRA3GLRB
SCHEMBL6433748 0.86 HPGDS (0.47) KEAP1HPGDSKMOL3MBTL1NPC1
SCHEMBL6438972 0.84 HPGDS (0.47) KEAP1HPGDSNPC1RAB9AKDM4E
SCHEMBL24933996 0.82 ALDH1A1 (0.47) HPGDSNPC1RAB9AKDM4EGLRA3
SCHEMBL30999881 0.82 ALDH1A1 (0.47) HPGDSNPC1RAB9AKDM4EGLRA3
SCHEMBL24934252 0.82 CDK8 (0.49) HPGDSNPC1RAB9AKDM4CHDAC6
SCHEMBL6434655 0.82 GLRA3 (0.62) HPGDSNPC1RAB9AKDM4CKDM4E
SCHEMBL3964365 0.80 HPGDS (0.58) HPGDSLTA4HGLRA3GLRB

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
CN-107108597-B Dopamine D3 receptor antagonist compounds 英立维尔英国有限公司 2020-04-17 CN disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 US disclosed
US-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS INDIVIOR UK LIMITED (GB) 2018-10-04 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
EP-3212637-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS Indivior UK Limited (GB) 2017-09-06 EP disclosed
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
CN-1662510-A Process for the preparation of 5- (1, 3-oxazol-2-yl) benzoic acid derivatives PHARMACIA & UPJOHN CO LLC (US) 2005-08-31 CN disclosed
CN-1662510-A Process for the preparation of 5- (1, 3-oxazol-2-yl) benzoic acid derivatives PHARMACIA & UPJOHN CO LLC (US) 2005-08-31 CN disclosed
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
EP-0297804-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1993-08-18 EP disclosed
US-4863846-A SULFUR KONICA CORPORATION (JP) 1989-09-05 US disclosed
EP-0297804-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1989-01-04 EP 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 (8 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-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS DRD3, DRD2, DRD4 KEAP1 3601/4885HPGDS 1305/4885KMO 847/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 KEAP1 3558/4885HPGDS 1419/4885KMO 849/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 KEAP1 3558/4885HPGDS 1419/4885KMO 849/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885HPGDS 1314/4885KMO 546/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 KEAP1 3558/4885HPGDS 1419/4885KMO 849/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 KEAP1 3558/4885HPGDS 1419/4885KMO 849/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 KEAP1 3601/4885HPGDS 1305/4885KMO 847/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 KEAP1 253/4885HPGDS 1766/4885KMO 699/4885

“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.