SCHEMBL6501660

SCHEMBL6501660

CCCCCC(C)Nc1cc[c]c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.34
ADRB2 P07550 4/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 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
SCHEMBL6466532 0.95 CCR4 (0.35) CCR4ADRB2ALDH1A1TP53HSP90AA1
SCHEMBL7824414 0.83 ALDH1A1 (0.52) CCR4ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL26644640 0.76 ALDH1A1 (0.42) ADRB2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL11442419 0.75 ALDH1A1 (0.58) ADRB2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL20246488 0.75 EPHX2 (0.52) EPHX2
SCHEMBL1123435 0.74 ADH1B (0.42) ADRB2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL1417508 0.73 ALDH1A1 (0.56) ADRB2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL11513573 0.73 ALDH1A1 (0.56) ADRB2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL11520102 0.73 ALDH1A1 (0.56) ADRB2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL39138 0.73 ALDH1A1 (0.56) ADRB2ALDH1A1TP53HSP90AA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A CCR4 2468/4885ADRB2 180/4885ALDH1A1 476/4885

“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.