SCHEMBL353825

SCHEMBL353825

CC1Oc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CA2 P00918 2/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 2/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
LMNA P02545 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL8525523 0.81 POLB (0.43) PARP1ABCG2BRD4CREBBPITGB2
SCHEMBL1107770 0.81 POLB (0.43) PARP1ABCG2BRD4CREBBPITGB2
SCHEMBL8342640 0.78 POLB (0.52) POLBNISCH
SCHEMBL8022614 0.78 MAOB (0.43) PARP1POLBMAOB
SCHEMBL13799638 0.77 PARP1 (0.38) PARP1ABCG2BRD4CREBBPITGB2
SCHEMBL18699163 0.73 TRPA1 (0.37) PARP1BRD4CREBBP
SCHEMBL90930 0.73 BRD4 (0.38) BRD4CREBBPCA2
SCHEMBL8900216 0.73 BRD4 (0.38) BRD4CREBBPCA2
SCHEMBL25121292 0.71 P2RY6 (0.30)
SCHEMBL4498507 0.71 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217764-A1 NOX INHIBITORS FOR USE IN THE TREATMENT OF ALPORT SYNDROME CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2023-11-16 WO claimed
WO-2023055427-A1 SMALL MOLECULE ANTAGONISTS OF PF4 NEW YORK BLOOD CENTER, INC. (US) 2023-04-06 WO claimed
US-20210177811-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2021-06-17 US claimed
EP-3703747-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2020-09-09 EP claimed
EP-3479843-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2019-05-08 EP claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20150175556-A1 DIHYDROPYRIMIDIN-2(1H)-ONES AND DIHYDROPYRIMIDIN-2(1H)-THIONES AS INHIBITORS OF SODIUM IODIDE SYMPORTER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-06-25 US claimed
EP-2867213-A1 DIHYDROPYRIMIDIN-2(1H)-ONES AND DIHYDROPYRIMIDIN-2(1H)-THIONES AS INHIBITORS OF SODIUM IODIDE SYMPORTER Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-05-06 EP claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
WO-2001091558-A1 HERBICIDAL AGENTS BASED ON SUBSTITUTED CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-12-06 WO claimed
EP-0759433-B1 Process for the preparation of 2,2-difluorobenzo[1.3]dioxolcarbaldehydes BAYER AG (DE) 1999-06-16 EP claimed
US-5637737-A Process for the preparation of 2,2-difluorobenzo[1.3]dioxolecarbaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1997-06-10 US claimed
EP-0759433-A1 Process for the preparation of 2,2-difluorobenzo(1.3) dioxolcarbaldehydes BAYER AG (DE) 1997-02-26 EP claimed
EP-0322187-A2 Condensation polymer containing the residue of a benzodioxylmethine compound and shaped articles produced therefrom EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-06-28 EP claimed

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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R PARP1 3070/4885ABCG2 930/4885BRD4 2204/4885
US-20150175556-A1 DIHYDROPYRIMIDIN-2(1H)-ONES AND DIHYDROPYRIMIDIN-2(1H)-THIONES AS INHIBITORS OF SODIUM IODIDE SYMPORTER SLC40A1, SLC5A11, SLC20A1 PARP1 4742/4885ABCG2 327/4885BRD4 2719/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R PARP1 1908/4885ABCG2 911/4885BRD4 1370/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR PARP1 4793/4885ABCG2 1774/4885BRD4 4882/4885
US-20210177811-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER NOX1, NOX5, NOX3 PARP1 1585/4885ABCG2 4511/4885BRD4 1072/4885

“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.