SCHEMBL1459901

SCHEMBL1459901

Fc1cccc(Cl)c1-c1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
PTGES O14684 11/20 0.50
FFAR1 O14842 1/20 0.45
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
IDO1 P14902 1/20 0.40
ORAI1 Q96D31 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1459905 0.90 CYP19A1 (0.58) CYP19A1PTGESFFAR1IDO1MAPT
SCHEMBL27862165 0.83 FFAR1 (0.45) CYP19A1PTGESFFAR1ORAI1KDM4E
SCHEMBL15021726 0.78 PTGES (0.45) PTGESFFAR1PIM1CSNK2A2CSNK2B
SCHEMBL1460260 0.78 IDO1 (0.45) CYP19A1PTGESIDO1KDM4EMEN1
SCHEMBL15020663 0.77 ORAI1 (0.57) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL903525 0.76 CYP19A1 (0.47) CYP19A1IDO1KDM4EMEN1NPC1
SCHEMBL15750984 0.76 PTGES (0.46) PTGESFFAR1ORAI1
SCHEMBL1459791 0.76 CYP19A1 (0.61) CYP19A1PTGESFFAR1PIM1CSNK2A2
SCHEMBL1459055 0.76 CYP19A1 (0.61) CYP19A1PTGESFFAR1IDO1MEN1
SCHEMBL2360992 0.75 PTGES (0.59) PTGESPIM1CSNK2A2CSNK2BPIM3

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 7 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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN 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 CYP19A1 1576/4885PTGES 963/4885FFAR1 318/4885

“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.