SCHEMBL16320998

SCHEMBL16320998

COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.61
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
PARP1 P09874 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SCD O00767 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 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
SCHEMBL2753999 0.86 MEN1 (0.69) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL17107149 0.83 USP2 (0.72) ADORA3MEN1KMT2AMAPK1HTT
SCHEMBL17107140 0.81 MAPT (0.58) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL17107236 0.81 ADORA3 (0.73) ADORA3MEN1KMT2AMAPK1HTT
SCHEMBL2754076 0.80 RAB9A (0.69) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL17107130 0.80 MEN1 (0.67) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL17107204 0.78 ALDH1A1 (0.66) ADORA3MEN1KMT2AMAPK1HTT
SCHEMBL7231994 0.78 RAB9A (0.71) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL2754054 0.77 KDM4E (0.80) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL31665141 0.77 KDM4E (0.80) ADORA3MEN1KMT2ANPC1RAB9A

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 ADORA3 3420/4885MEN1 1886/4885KMT2A 4127/4885

“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.