SCHEMBL10275578

SCHEMBL10275578

CC1=NN2C(=O)C=C(c3ccc(C#N)cc3)NC2C=C1c1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.40
NR3C2 P08235 13/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
AR P10275 1/20 0.37
MAP4K4 O95819 1/20 0.37
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL10313496 0.89 ALDH1A1 (0.35)
SCHEMBL10276242 0.85 NR3C2 (0.38) SIRT5NR3C2RARARARBRARG
SCHEMBL10276245 0.85 NR3C2 (0.38) SIRT5NR3C2RARARARBRARG
SCHEMBL10275359 0.79 PDE3B (0.36) NR3C2AR
SCHEMBL10313719 0.72 CNR2 (0.34)
SCHEMBL10276334 0.69 KIF11 (0.39)
SCHEMBL10275367 0.69 ALOX5AP (0.35) NR3C2AR
SCHEMBL10275809 0.69 NR3C2 (0.39) SIRT5NR3C2RARARARBRARG
SCHEMBL10275122 0.68 KDM4E (0.34)
SCHEMBL10275691 0.68 PDE3B (0.35) NR3C2AR

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 SIRT5 2657/4885NR3C2 1731/4885RARA 1915/4885

“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.