SCHEMBL918248

SCHEMBL918248

COc1ccc(Nc2nc(-c3ccc(OC)cc3)c(CCC(=O)O)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
GAA P10253 7/20 1.00
ALDH1A1 P00352 5/20 0.78
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
LMNA P02545 1/20 0.75
PTGDR2 Q9Y5Y4 9/20 0.72
HPGD P15428 2/20 0.67
DHODH Q02127 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL12158063 0.80 PTGDR2 (0.77) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12158054 0.76 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12174568 0.76 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4393456 0.76 DHODH (0.75) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL14420801 0.76 PTGDR2 (0.79) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12174593 0.75 MAPT (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL13193328 0.74 CSNK2A1 (0.71) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL918755 0.73 MAPT (0.81) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4840175 0.73 MAPT (0.67) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12298344 0.73 PTGDR2 (0.69) MAPTGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US claimed
WO-2009079373-A2 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 WO claimed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
WO-2009079373-A2 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 WO disclosed
WO-2009079373-A2 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 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 (3 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-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MAPT 655/4885GAA 3203/4885ALDH1A1 3981/4885
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MAPT 655/4885GAA 3203/4885ALDH1A1 3981/4885
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MAPT 727/4885GAA 2961/4885ALDH1A1 3888/4885

“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.