SCHEMBL12744934

SCHEMBL12744934

C/C(=N\Nc1ccc(Br)cc1)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
MAPT P10636 7/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 8/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 2/20 0.39
AHR P35869 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL1463372 0.90 GAA (0.42) GAAMAPTRAB9ATDP1NPC1
SCHEMBL1463431 0.83 NPC1 (0.49) GAAMAPTRAB9ATDP1NPC1
SCHEMBL903543 0.79 MAPT (0.43) GAAMAPTRAB9ATDP1NPC1
SCHEMBL26079230 0.78 GAA (0.41) GAAMAPTRAB9ATDP1NPC1
SCHEMBL15540648 0.76 GAA (0.42) GAAMAPTRAB9ANPC1POLB
SCHEMBL15540649 0.76 GAA (0.42) GAAMAPTRAB9ANPC1POLB
SCHEMBL24572633 0.75 ALDH1A1 (0.67) GAAMAPTRAB9ATDP1NPC1
SCHEMBL20718816 0.75 ALDH1A1 (0.67) GAAMAPTRAB9ATDP1NPC1
SCHEMBL20718861 0.75 ALDH1A1 (0.67) GAAMAPTRAB9ATDP1NPC1
SCHEMBL16582991 0.75 GAA (0.41) GAAMAPTRAB9ANPC1SMN1; SMN2

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 GAA 3955/4885MAPT 2068/4885RAB9A 1419/4885

“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.