SCHEMBL23657451

SCHEMBL23657451

CCOC(=O)c1c(N)sc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 4/20 0.71
MAPT P10636 4/20 0.71
NFKB1 P19838 3/20 0.71
NFKB2 Q00653 3/20 0.71
RELA Q04206 3/20 0.71
SETD7 Q8WTS6 5/20 0.69
CISD2 Q8N5K1 7/20 0.62
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 2/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL25106688 0.87 RAB9A (0.77) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL8290684 0.85 CISD2 (0.83) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL9400304 0.84 RAB9A (1.00) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL13236165 0.80 ALDH1A1 (0.76) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL20838890 0.80 RAB9A (0.69) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL25106697 0.79 CISD2 (0.80) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL248772 0.79 MAPT (0.75) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL25106678 0.76 CISD2 (1.00) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL25106677 0.76 CISD2 (1.00) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL432052 0.76 MAPT (0.59) RAB9ANPC1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA RAB9A 4056/4885NPC1 1022/4885ALDH1A1 98/4885

“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.