SCHEMBL6505036

SCHEMBL6505036

COC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(N(CC2CCCCC2)C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
QPCT Q16769 3/20 0.31
ALOX5AP P20292 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HTR2C P28335 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
MCTS1 Q9ULC4 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6502592 0.88 CDK9 (0.33) CNR2ALDH1A1QPCTALOX5APMAPT
SCHEMBL6497536 0.88 MAPT (0.34) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL6495100 0.84 MAPT (0.35) MAPTMEN1KMT2ATP53
SCHEMBL6492876 0.81 GLP1R (0.34) ALDH1A1ALOX5APMAPTHTR2CSLC6A4
SCHEMBL6300779 0.80 P2RX3 (0.38) ALOX5APMAPTTHRBTP53
SCHEMBL6299341 0.80 ALOX5AP (0.39) CNR2ALOX5APMAPTSLC16A3SLC16A1
SCHEMBL27556288 0.78 WDR5 (0.36) ALDH1A1QPCTHTR2CSLC6A4SLC16A3
SCHEMBL6502447 0.75 MAPT (0.38) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL6301746 0.75 PPARG (0.45) ALDH1A1MAPTTP53
SCHEMBL6299634 0.75 MAPT (0.39) MAPTMEN1KMT2ATP53

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 CNR2 708/4885ALDH1A1 476/4885QPCT 1956/4885

“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.