SCHEMBL10275903

SCHEMBL10275903

C/C1=C/C=C(/c2ccc(C(=O)O)cc2)CC2NC(c3ccc(C#N)cc3)=CC(=O)N2N1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MAP4K4 O95819 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
PGR P06401 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
SCHEMBL10275809 0.84 NR3C2 (0.39) NR3C2ARALDH1A1RARARARB
SCHEMBL10275578 0.69 SIRT5 (0.40) NR3C2ARRARARARBRARG
SCHEMBL10276267 0.67 KDM1A (0.34) AR
SCHEMBL10276242 0.67 NR3C2 (0.38) NR3C2ARRARARARBRARG
SCHEMBL10276245 0.67 NR3C2 (0.38) NR3C2ARRARARARBRARG
SCHEMBL10276404 0.63 KDM1A (0.35) AR
SCHEMBL307426 0.62 MAP4K4 (0.60) ARMAP4K4
Hydrochloric Acid SCHEMBL15939679 0.61 MAP4K4 (0.59) ARMAP4K4
SCHEMBL216706 0.61 CA2 (0.64) ARALDH1A1RARBRARGMAP4K4
SCHEMBL1231896 0.60 SLC22A12 (0.56) ARRARARARBRARGMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 NR3C2 1731/4885AR 3221/4885ALDH1A1 572/4885

“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.