SCHEMBL1463372

SCHEMBL1463372

C/C(=N\Nc1ccc(Br)cc1)c1c(F)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.42
MAPT P10636 5/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX12 P18054 2/20 0.41
AHR P35869 1/20 0.41
PTGES O14684 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL12744934 0.90 GAA (0.47) GAAMAPTRAB9ATDP1POLB
SCHEMBL15540648 0.84 GAA (0.42) GAAMAPTRAB9APOLBNPC1
SCHEMBL15540649 0.84 GAA (0.42) GAAMAPTRAB9APOLBNPC1
SCHEMBL16582991 0.83 GAA (0.41) GAAMAPTRAB9ANPC1NPSR1
SCHEMBL15600234 0.83 GAA (0.41) GAAMAPTRAB9ANPC1NPSR1
SCHEMBL1462612 0.77 ALDH1A1 (0.51) GAAMAPTRAB9ATDP1POLB
SCHEMBL1463431 0.77 NPC1 (0.49) GAAMAPTRAB9ATDP1POLB
SCHEMBL903543 0.73 MAPT (0.43) GAAMAPTRAB9ATDP1POLB
SCHEMBL15540046 0.73 RAB9A (0.45) GAAMAPTRAB9ANPC1NPSR1
SCHEMBL20078770 0.73 GAA (0.46) GAAMAPTRAB9APOLBNPC1

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 4 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
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.