SCHEMBL9685221

SCHEMBL9685221

CC(=O)Nc1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA9 Q16790 4/20 0.56
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 3/20 0.45
COXFA4 O00483 1/20 0.45
MAPT P10636 4/20 0.44
MAOA P21397 1/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL10892053 0.88 HPGD (0.50) CA12CA9ALDH1A1HPGDCYP3A4
SCHEMBL17781624 0.82 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4TDP1HIF1A
SCHEMBL6648245 0.80 ALDH1A1 (0.57) CA12CA9ALDH1A1HPGDCYP3A4
SCHEMBL28405015 0.80 HIF1A (0.50) CA12CA9ALDH1A1HPGDCYP3A4
SCHEMBL27638710 0.78 HIF1A (0.44) CA12CA9ALDH1A1HPGDCYP3A4
SCHEMBL29644889 0.78 MAPT (0.56) CA12CA9ALDH1A1MAPTMAOA
SCHEMBL16865510 0.77 RAB9A (0.56) CA12CA9ALDH1A1HPGDCYP3A4
SCHEMBL16694459 0.77 HIF1A (0.64) ALDH1A1HIF1AEPAS1COXFA4MAPT
SCHEMBL29644899 0.77 PTPN1 (0.61) CA12CA9MAOAPTPN1
SCHEMBL27212228 0.77 HPGD (0.47) CA12CA9ALDH1A1HPGDCYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096235-B 2, 2-dimethyl benzopyran derivative and preparation method and application thereof 沈阳药科大学 2022-06-21 CN disclosed
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US disclosed
US-20150266887-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC N-OXIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-24 US disclosed
US-7683189-B2 Process for producing aminobenzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-23 US disclosed
CN-100532375-C Amidomethyl-substituted 2-(4-sulfonylamino)-3-hydroxy-3,4-dihydro-2h-chromen-6-yl compounds, a process and intermediates for their production, and pharmaceutical containing the compound SOLVAY PHARM GMBH (DE) 2009-08-26 CN disclosed
CN-1894233-A Amidomethyl-substituted 2-(4-sulfonylamino)-3-hydroxy-3,4-dihydro-2h-chromen-6-yl compounds, a process and intermediates for their production, and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 2007-01-10 CN disclosed
US-5164509-A BENZODIAZOLO ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-11-17 US disclosed
EP-0488107-A2 Tricyclic benzodiazole analogs and their use in the treatment of cardiovascular disorders E.R. SQUIBB & SONS, INC. (US) 1992-06-03 EP disclosed
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 US 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 (1 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-20150266887-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC N-OXIDE COMPOUND NOS3, NOS2, SQOR CA12 2350/4885CA9 1344/4885ALDH1A1 1143/4885

“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.