SCHEMBL724533

SCHEMBL724533

Cc1nc2cc(Cl)c(-c3ccc(-c4cc(F)c(C(N)=O)c(F)c4)s3)cc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.37
KDM4E B2RXH2 6/20 0.34
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 3/20 0.34
DHODH Q02127 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL722988 0.88 FPR2 (0.39) FPR2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL720449 0.82 MKNK1 (0.38) FPR2KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL29642097 0.73 IL2 (0.57) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10201122 0.73 IL2 (0.57) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30534430 0.72 STIM1 (0.38) FPR2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10201120 0.72 STIM1 (0.53) NPC1RAB9ASMN1; SMN2ESR1ESR2
SCHEMBL29642074 0.72 STIM1 (0.53) NPC1RAB9ASMN1; SMN2ESR1ESR2
SCHEMBL1701281 0.69 GAA (0.41) ESR1ESR2GAAL3MBTL1
SCHEMBL724532 0.69 GAA (0.31) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL722987 0.68 GAA (0.31) SMN1; SMN2MAPTGAAL3MBTL1TP53

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-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 FPR2 1818/4885KDM4E 4057/4885NPC1 262/4885

“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.