SCHEMBL16340752

SCHEMBL16340752

COCCNc1nc(-c2ccccc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.66
NPC1 O15118 9/20 0.66
MAPT P10636 6/20 0.66
ALDH1A1 P00352 5/20 0.66
STAT1 P42224 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
KDM4E B2RXH2 2/20 0.63
HTT P42858 2/20 0.58
GAA P10253 4/20 0.57
PHGDH O43175 1/20 0.56
SENP7 Q9BQF6 2/20 0.55
CASP3 P42574 1/20 0.55
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
ALOX5 P09917 2/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 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
SCHEMBL1821419 0.92 RAB9A (0.71) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL12601860 0.89 RAB9A (0.67) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL21517172 0.85 MAPT (0.61) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL1747328 0.83 RAB9A (0.81) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL1914539 0.81 ALDH1A1 (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10475630 0.81 MAPT (0.91) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL1821250 0.80 MAPT (0.63) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL10352100 0.80 MAPT (0.67) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL1747419 0.80 MEN1 (0.71) RAB9ANPC1MAPTALDH1A1STAT1
SCHEMBL1746613 0.79 MAPT (0.66) RAB9ANPC1MAPTALDH1A1STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790218-B2 Small molecule activators of calcium-activated chloride channels and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-20140378510-A1 SMALL MOLECULE ACTIVATORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-25 US 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-20140378510-A1 SMALL MOLECULE ACTIVATORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS AND METHODS OF USE CLCN2, KCNN1, KCNN2 RAB9A 275/4885NPC1 2738/4885MAPT 4441/4885

“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.