SCHEMBL3072544

SCHEMBL3072544

Cc1cccc(C(O)(c2cccnc2)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP19A1 P11511 5/20 0.38
KCNA5 P22460 6/20 0.36
KCNH2 Q12809 2/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL1638486 0.92 CYP19A1 (0.37) RORCCYP3A4CYP19A1KCNH2
SCHEMBL1637070 0.83 CYP19A1 (0.40) RORCCYP3A4CYP3A5CYP19A1KCNA5
SCHEMBL2205776 0.82 CYP19A1 (0.32) RORCCYP3A4CYP19A1KCNH2
SCHEMBL11891099 0.81 KIF11 (0.38) CYP3A4CYP3A5CYP19A1KCNH2
SCHEMBL3066089 0.81 CYP3A4 (0.47) RORCCYP3A4CYP3A5CYP19A1KCNA5
SCHEMBL1482471 0.78 KCNA5 (0.40) RORCCYP3A4KCNA5
SCHEMBL11891095 0.75 CYP11B1 (0.40) RORCCYP19A1KCNA5
SCHEMBL1637263 0.73 CYP19A1 (0.39) RORCCYP3A4CYP3A5CYP19A1KCNH2
SCHEMBL13089077 0.70 CYP19A1 (0.39) RORCCYP3A4CYP3A5CYP19A1KCNH2
SCHEMBL11891093 0.70 CYP11B1 (0.38) CYP3A4CYP19A1KCNA5KCNH2

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-2155715-B1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN INC (US) 2013-03-13 EP disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
EP-2155715-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2010-02-24 EP disclosed
WO-2008141312-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2008-11-20 WO 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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS CYP11B2, TPMT, COXFA4L2 RORC 122/4885CYP3A4 65/4885CYP3A5 221/4885

“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.