SCHEMBL3591312

SCHEMBL3591312

COc1cc(-c2nc(-c3c(Cl)nc(C)c(Cl)c3C)no2)cc([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.55
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 11/20 0.44
TP53 P04637 4/20 0.44
S1PR1 P21453 2/20 0.43
MAPT P10636 8/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL30471666 1.00 COMT (0.55) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL21388412 0.93 COMT (0.52) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL22578251 0.90 POLB (0.52) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL21851566 0.89 COMT (0.52) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL31119408 0.88 COMT (0.70) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL538657 0.88 COMT (0.70) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8471833 0.86 COMT (0.55) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL21686097 0.85 COMT (0.64) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL21686045 0.84 COMT (0.68) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL15019301 0.84 COMT (0.79) COMTNPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421456-A1 NEW ROUTE OF SYNTHESIS FOR OPICAPONE AZAD Pharmaceutical Ingredients AG (CH) 2019-01-02 EP claimed
US-20180370958-A1 Route Of Synthesis For Opicapone AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2018-12-27 US claimed
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US claimed
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP claimed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US claimed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP claimed
US-20240300930-A1 NOVEL PROCESS FOR THE PREPARATION OF 2,5-DICHLORO-3-(5-(3,4-DIHYDROXY-5-NITROPHENYL)-1,2,4-OXADIAZOL-3-YL)-4,6-DIMETHYLPYRIDINE-1-OXIDE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-09-12 US disclosed
WO-2024136689-A1 PROCESSES AND INTERMEDIATES FOR SYNTHESISING OPICAPONE BIAL - PORTELA & CA, S.A. (PT) 2024-06-27 WO disclosed
EP-3604299-B1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR BIAL PORTELA & CA SA (PT) 2023-07-26 EP disclosed
EP-3604299-B1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR BIAL PORTELA & CA SA (PT) 2023-07-26 EP disclosed
EP-3604299-A1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR Bial-Portela & CA, S.A. (PT) 2020-02-05 EP disclosed
EP-3604299-A1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR Bial-Portela & CA, S.A. (PT) 2020-02-05 EP disclosed
EP-2791134-B1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-O-METHYLTRANSFERASE INHIBITOR BIAL PORTELA & Cª S A (PT) 2019-09-25 EP disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
WO-2013089573-A1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-O-METHYLTRANSFERASE INHIBITOR BIAL - PORTELA & Cª., S.A. (PT) 2013-06-20 WO disclosed
WO-2013089573-A1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-O-METHYLTRANSFERASE INHIBITOR BIAL - PORTELA & Cª., S.A. (PT) 2013-06-20 WO disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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 (3 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-20240300930-A1 NOVEL PROCESS FOR THE PREPARATION OF 2,5-DICHLORO-3-(5-(3,4-DIHYDROXY-5-NITROPHENYL)-1,2,4-OXADIAZOL-3-YL)-4,6-DIMETHYLPYRIDINE-1-OXIDE NOX4, DDT, QDPR COMT 160/4885NPC1 3171/4885HPGD 108/4885
US-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 COMT 10/4885NPC1 90/4885HPGD 307/4885
US-20180370958-A1 Route Of Synthesis For Opicapone OPRM1, OPRK1, OPRD1 COMT 399/4885NPC1 1029/4885HPGD 311/4885

“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.