SCHEMBL1460083

SCHEMBL1460083

Cc1cc(-c2nnn(C)n2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DRD2 P14416 2/20 0.38
S1PR1 P21453 1/20 0.37
LRRK2 Q5S007 2/20 0.37
PPARA Q07869 1/20 0.37
ACLY P53396 1/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL27430479 0.84 HRH4 (0.42) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL15261817 0.81 RAB9A (0.35) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6609423 0.80 TRPV1 (0.42) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL13729002 0.79 KDM2B (0.41) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL27862276 0.78 NPC1 (0.40) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6609492 0.78 ACLY (0.49) SMN1; SMN2LRRK2ACLYALDH1A1
SCHEMBL2611131 0.77 LMNA (0.49) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL22911187 0.77 RAB9A (0.36) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3343755 0.77 RAB9A (0.44) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8169729 0.76 ACLY (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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 6 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 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 RAB9A 1419/4885SMN1; SMN2 2800/4885NPC1 1299/4885

“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.