SCHEMBL12342159

SCHEMBL12342159

Cc1c(N[C@@H](C(=O)NNC(=O)c2ccc(O)cc2)[C@@H](C)O)ccc(C#N)c1I

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGR P06401 1/20 0.31
HDAC1 Q13547 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
SCHEMBL12140335 1.00 AR (0.32) ARALDH1A1GAAMEN1MAPT
SCHEMBL12140378 0.94 AR (0.32) ARALDH1A1GAAMAPTPGR
SCHEMBL12307985 0.93 AR (0.39) ARALDH1A1MEN1KMT2APGR
SCHEMBL12306852 0.92 SMN1; SMN2 (0.36) ALDH1A1GAAMEN1MAPTHTT
SCHEMBL12306088 0.92 SMN1; SMN2 (0.36) ALDH1A1GAAMEN1MAPTHTT
SCHEMBL12307299 0.90
SCHEMBL12306132 0.90
SCHEMBL12308034 0.90 POLB (0.35) ALDH1A1MAPT
SCHEMBL12342283 0.90
SCHEMBL12140380 0.90 HDAC1 (0.34) HDAC1

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-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R AR 1/4885ALDH1A1 809/4885GAA 3851/4885

“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.