SCHEMBL642297

SCHEMBL642297

O=C(Cl)c1ccc2c(c1)CCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.62
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
TSHR P16473 1/20 0.47
GPR183 P32249 2/20 0.47

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
SCHEMBL22027767 0.87 CTNNB1 (0.55) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL20330490 0.87 CTNNB1 (0.55) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL19932401 0.86 TSHR (0.47) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL11022359 0.85 PRKCI (0.66) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL1395976 0.84 PRKCI (0.64) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL29503137 0.84 PRKCI (0.69) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL2176489 0.84 PRKCI (0.69) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL27392330 0.83 PRKCI (0.42) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL23222198 0.82 PRKCI (0.62) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL102518 0.82 PRKCI (0.62) PRKCITAS1R3TAS1R1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024153244-A1 NITROGEN-CONTAINING COMPOUND 南京再明医药有限公司 2024-07-25 WO disclosed
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN disclosed
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US disclosed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 US disclosed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 EP disclosed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US disclosed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 WO disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 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 (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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB PRKCI 2510/4885TAS1R3 4499/4885TAS1R1 4252/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB PRKCI 2510/4885TAS1R3 4499/4885TAS1R1 4252/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 PRKCI 3389/4885TAS1R3 1979/4885TAS1R1 1358/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB PRKCI 2510/4885TAS1R3 4499/4885TAS1R1 4252/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB PRKCI 2510/4885TAS1R3 4499/4885TAS1R1 4252/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB PRKCI 2510/4885TAS1R3 4499/4885TAS1R1 4252/4885

“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.