SCHEMBL446185

SCHEMBL446185

[CH2]C1Oc2ccccc2O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 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
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NISCH Q9Y2I1 2/20 0.34
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX5 P09917 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL3626503 0.75 CA2 (0.36) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL1079302 0.69 NISCH (0.48) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL17969038 0.69 CA2 (0.32) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL7765721 0.69 HRH3 (0.34) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL3639081 0.69 CA2 (0.45) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL3072276 0.69 MAOA (0.46) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL11307666 0.69 ABCG2 (0.36) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL8525523 0.69 POLB (0.43) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL329533 0.69 ABCG2 (0.36) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL329447 0.69 MAOA (0.46) ABCG2ITGB2ICAM1ITGALCA2

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 372 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
CN-112654354-A 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof 菲尼克思药业股份有限公司 2021-04-13 CN claimed
EP-3703747-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2020-09-09 EP claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
EP-3479843-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2019-05-08 EP claimed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US claimed
EP-3068778-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS The University of Kansas (US) 2016-09-21 EP claimed
EP-0956286-B1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR INC (US) 2003-04-02 EP 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-0956286-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1999-11-17 EP claimed
US-5925761-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 1999-07-20 US claimed
WO-1998033789-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1998-08-06 WO claimed
EP-0505540-A4 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF 1992-10-28 EP claimed
EP-0505540-A1 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF MCNEILAB, INC. (US) 1992-09-30 EP claimed
WO-1992005152-A2 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF MCNEILAB, INC. (US) 1992-04-02 WO 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 (2 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-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 ABCG2 1141/4885ITGB2 4485/4885ICAM1 3038/4885
US-20210177811-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER NOX1, NOX5, NOX3 ABCG2 4511/4885ITGB2 1696/4885ICAM1 858/4885

“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.