SCHEMBL1460100

SCHEMBL1460100

Cc1cc(F)ccc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.49
FFAR1 O14842 3/20 0.46
PPARG P37231 1/20 0.46
ORAI1 Q96D31 1/20 0.41
MAPT P10636 2/20 0.40
FLT3 P36888 1/20 0.38
VCP P55072 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
NMT1 P30419 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL1464225 0.91 ALDH1A1 (0.46) CYP1A1FFAR1PPARGORAI1MAPT
SCHEMBL1460040 0.88 FFAR1 (0.45) CYP1A1FFAR1PPARGORAI1MAPT
SCHEMBL1460846 0.86 HPN (0.39) CYP1A1FFAR1PPARGORAI1MAPT
SCHEMBL1458818 0.85 KDM4E (0.49) FFAR1ORAI1MAPTFLT3MEN1
SCHEMBL1459615 0.84 CYP19A1 (0.48) CYP1A1ORAI1VCPTNKSTNKS2
SCHEMBL1458789 0.83 TRPA1 (0.41) CYP1A1FFAR1ORAI1MAPTVCP
SCHEMBL1459748 0.83 FFAR1 (0.42) CYP1A1FFAR1PPARGHPN
SCHEMBL1459974 0.81 ROCK2 (0.42) FFAR1PPARGORAI1VCPMEN1
SCHEMBL1458826 0.80 ORAI1 (0.66) CYP1A1ORAI1MAPTMEN1ALDH1A1
SCHEMBL1459760 0.80 IL2 (0.40) CYP1A1ORAI1PTGESCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
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
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 CYP1A1 971/4885FFAR1 318/4885PPARG 2826/4885

“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.