SCHEMBL15580453

SCHEMBL15580453

N#Cc1ccc(N)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL15580469 0.80 KDM4E (0.33) ARKDM4EMEN1LMNAGAA
SCHEMBL12292716 0.78
SCHEMBL16473024 0.77 ABCC9 (0.36) ARKDM4EGAAMAPTHTT
SCHEMBL2430432 0.76 AR (0.39) ARCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16472835 0.74 AR (0.33) ARKDM4EMEN1LMNAGAA
SCHEMBL2968418 0.73 AR (0.42) ARPGR
SCHEMBL12327569 0.73 AR (0.39) ARCYP1A2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL2428182 0.73 AR (0.33) ARCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25197764 0.68 AR (0.41) ARCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11939273 0.66 AR (0.42) ARCYP1A2CYP3A4CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 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-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA AR 1/4885KDM4E 1478/4885MEN1 674/4885

“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.