SCHEMBL1463469

SCHEMBL1463469

COC(=O)c1ccc(-c2cc3cc(-c4nc(-c5cccnc5)sc4C)ccc3[nH]2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MMP13 P45452 2/20 0.43
MMP2 P08253 1/20 0.43
MMP14 P50281 1/20 0.43
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.38
NR4A2 P43354 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
SCHEMBL1459923 0.86 MMP2 (0.44) SLC2A1CYP19A1CYP11B1CYP11B2MMP13
SCHEMBL1459734 0.78 CYP19A1 (0.43) CYP19A1MMP13MMP2MMP14KDM4E
SCHEMBL1461176 0.78 CLK2 (0.41) CYP19A1MMP13MMP2MMP14KDM4E
SCHEMBL1459803 0.78 NPY5R (0.44) CYP19A1MMP13MMP2MMP14KDM4E
SCHEMBL1460864 0.78 APEX1 (0.47) CYP19A1MMP13MMP2MMP14MAPK14
SCHEMBL1458836 0.78 FFAR1 (0.47) SLC2A1MMP13KDM4EALDH1A1
SCHEMBL1459057 0.77 ROS1 (0.44) CYP19A1CYP11B1MMP13MMP2MMP14
SCHEMBL1460052 0.75 CYP19A1 (0.41) CYP19A1MMP13MMP2MMP14MAPK14
SCHEMBL1460067 0.75 KDM4E (0.40) CYP19A1CYP11B1CYP11B2MMP13MMP2
SCHEMBL1458890 0.74 CYP19A1 (0.39) CYP19A1MMP13MMP2MMP14MAPK14

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 SLC2A1 1210/4885CYP19A1 1576/4885CYP11B1 947/4885

“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.