SCHEMBL1459923

SCHEMBL1459923

COC(=O)c1ccc(-c2cc3cc(-c4nc(-c5cccnc5)sc4C)ccc3[nH]2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
NR4A2 P43354 1/20 0.43
SLC2A1 P11166 1/20 0.43
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SYK P43405 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 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
SCHEMBL1463469 0.86 SLC2A1 (0.50) MMP2MMP13MMP14NR4A2SLC2A1
SCHEMBL1459734 0.80 CYP19A1 (0.43) MMP2MMP13MMP14CYP19A1SYK
SCHEMBL1460052 0.76 CYP19A1 (0.41) MMP2MMP13MMP14CYP19A1SYK
SCHEMBL1460067 0.76 KDM4E (0.40) MMP2MMP13MMP14CYP19A1CYP11B1
SCHEMBL1458890 0.76 CYP19A1 (0.39) MMP2MMP13MMP14CYP19A1SYK
SCHEMBL1460864 0.75 APEX1 (0.47) MMP2MMP13MMP14CYP19A1KDM4E
SCHEMBL1459803 0.75 NPY5R (0.44) MMP2MMP13MMP14CYP19A1KDM4E
SCHEMBL1461176 0.75 CLK2 (0.41) MMP2MMP13MMP14CYP19A1SYK
SCHEMBL1459057 0.73 ROS1 (0.44) MMP2MMP13MMP14CYP19A1CYP11B1
SCHEMBL1459815 0.73 ORAI1 (0.40) MMP2MMP13MMP14CYP19A1KDM4E

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 claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
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
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 MMP2 4541/4885MMP13 4585/4885MMP14 4674/4885

“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.