SCHEMBL97760

SCHEMBL97760

O=[C]c1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
PIK3CD O00329 1/20 0.42
TRPA1 O75762 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
RHEB Q15382 9/20 0.40
HTR6 P50406 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRB1 P08588 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
DAO P14920 1/20 0.36

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
SCHEMBL403956 0.79 IMPDH2 (0.57) AHRPIK3CDTRPA1CA1CA2
SCHEMBL18000260 0.79 AHR (0.50) AHRPIK3CDTRPA1CA1CA2
SCHEMBL31189980 0.79 AHR (0.50) AHRPIK3CDTRPA1CA1CA2
SCHEMBL30309353 0.79 IMPDH2 (0.57) AHRPIK3CDTRPA1CA1CA2
SCHEMBL4023666 0.75 CYP3A4 (0.47) AHRPIK3CDTRPA1RHEBHTR6
SCHEMBL30564127 0.75 CYP3A4 (0.47) AHRPIK3CDTRPA1RHEBHTR6
SCHEMBL96479 0.72 IMPDH2 (0.64) AHRMAPK1IMPDH2IMPDH1
SCHEMBL28859520 0.72 AHR (0.43) AHRPIK3CDTRPA1CA1CA2
SCHEMBL1227243 0.71 CA1 (0.38) CA1CA2
SCHEMBL276034 0.71 AHR (0.56) AHRPIK3CDTRPA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP disclosed
US-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1090913-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2001-04-11 EP disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 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 (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-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 AHR 1206/4885PIK3CD 3524/4885TRPA1 1926/4885
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE AHR 3382/4885PIK3CD 1808/4885TRPA1 2979/4885

“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.