SCHEMBL6607475

SCHEMBL6607475

Nc1ccc[c]c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX12 P18054 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
SCHEMBL6131965 0.81 CYP3A4 (0.35) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL10792241 0.80 ALOX15 (0.43) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL7995314 0.79 ALDH1A1 (0.59) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL6138475 0.79 MAOA (0.47) CYP3A4CASP1ALDH1A1TDP1KDM4E
SCHEMBL7446493 0.77 ALDH1A1 (0.52) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL7449204 0.77 CYP2A6 (0.48) CYP3A4ALOX15SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4580879 0.75 ALDH1A1 (0.47) CYP3A4ALOX15ALDH1A1HSD17B10TDP1
SCHEMBL185890 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1HPGD
Biphenyl SCHEMBL27516413 0.74 ALOX15 (0.71) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL4790399 0.73 CYP2A6 (0.44) CYP3A4SMN1; SMN2ALDH1A1TAAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
US-6710160-B2 VARNISH HAVING IMPROVED SMOOTHNESS, THERMAL RESISTANCE, MELT FLOWABILITY, OPTICAL PROPERTIES AND CHEMICAL RESISTANCE; DIELECTRICS MITSUI CHEMICALS, INC. (JP) 2004-03-23 US disclosed
US-20020188090-A1 Polyamic acid, polyimide, process for producing these, and film of the polyimide MITSUI CHEMICALS, INC. (JP) 2002-12-12 US disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed
EP-0993448-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-19 EP disclosed
WO-1998057934-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CYP3A4 1806/4885ALOX15 847/4885SMN1; SMN2 1918/4885

“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.