SCHEMBL12744947

SCHEMBL12744947

C/C(=N\Nc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TDP1 Q9NUW8 3/20 0.54
GAA P10253 3/20 0.54
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 2/20 0.54
CASP6 P55212 1/20 0.54
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EPAS1 Q99814 1/20 0.52

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
SCHEMBL23928659 0.82 PTGS2 (0.51) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL20718861 0.79 ALDH1A1 (0.67) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL20718816 0.79 ALDH1A1 (0.67) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL24572633 0.79 ALDH1A1 (0.67) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL6285948 0.76 RAB9A (0.66) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL6285944 0.76 RAB9A (0.66) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL518772 0.74 MAPT (0.57) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL21812481 0.73 ALDH1A1 (0.71) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL21812480 0.73 ALDH1A1 (0.71) MAPTTDP1GAANPC1L3MBTL1
SCHEMBL220074 0.73 MAPT (0.47) MAPTTDP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E MAPT 2068/4885TDP1 2319/4885GAA 3955/4885

“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.