SCHEMBL17367482

SCHEMBL17367482

CC(=O)C1(c2ccc(-c3ccc(-c4sc(Cl)cc4C(N)=O)cc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31

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
SCHEMBL15854168 0.87 OPRM1 (0.38) KMT2A
SCHEMBL17367476 0.85 MAPT (0.35) MAPTKMT2A
SCHEMBL17367492 0.84 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17367480 0.83 PRKAB2 (0.32) MAPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17367488 0.82 CHEK1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17367483 0.79 ACHE (0.31)
SCHEMBL15853733 0.79 MAP4K4 (0.39) MAPTKMT2APRKAB2PRKAG1PRKAA2
SCHEMBL17367493 0.77 LPAR1 (0.35)
SCHEMBL17367486 0.76 CASP1 (0.34) CASP1
SCHEMBL17226292 0.76 OPRM1 (0.39) KMT2A

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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 MAPT 4787/4885CASP1 3061/4885KMT2A 2589/4885

“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.