SCHEMBL12378214

SCHEMBL12378214

[13C-]#[15N+]c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
AR P10275 15/20 0.47
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
NR1H2 P55055 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL9264759 1.00 GAA (0.55) GAATSHRGLAPOLBAR
SCHEMBL13130557 0.84 GAA (0.50) GAATSHRGLAPOLBAR
SCHEMBL29956599 0.78 AR (0.46) AR
SCHEMBL12138270 0.78 IDO1 (0.42) AR
SCHEMBL29955036 0.76 CYP1A2 (0.39) ARKDM4E
SCHEMBL29951072 0.76 KDM1A (0.42) AR
SCHEMBL827884 0.73 TSHR (0.70) GAATSHRGLAPOLBAR
SCHEMBL29420085 0.73 TSHR (0.70) GAATSHRGLAPOLBAR
SCHEMBL12547683 0.73 MEN1 (0.35) GAATSHRGLAPOLBKDM4E
SCHEMBL12548054 0.72 ALDH1A1 (0.33) GAATSHRGLAPOLBAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003689-B2 Metabolites of selective androgen receptor modulators and methods of use thereof GTX, INC. (US) 2011-08-23 US disclosed
US-20100004326-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF ONCTERNAL THERAPEUTICS, INC 2010-01-07 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-20100004326-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF AR, SHBG, GPR119 GAA 373/4885TSHR 610/4885GLA 465/4885

“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.