SCHEMBL10276314

SCHEMBL10276314

CC1=C(c2ccc(C(=O)O)cc2)N2NC(c3ccc(C#N)cc3)=CC(=O)C2=NC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.38
AR P10275 1/20 0.37
MAP4K4 O95819 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL10276312 0.67 AR (0.39) NR3C2ARMAP4K4RARARARB
SCHEMBL10275809 0.65 NR3C2 (0.39) NR3C2ARMAP4K4RARARARB
SCHEMBL307426 0.64 MAP4K4 (0.60) ARMAP4K4
Hydrochloric Acid SCHEMBL15939679 0.63 MAP4K4 (0.59) ARMAP4K4
SCHEMBL216706 0.63 CA2 (0.64) ARMAP4K4RARBRARGALDH1A1
Terephthalic Acid SCHEMBL27298641 0.62 ALDH1A1 (0.68) ARMAP4K4RARBRARGALDH1A1
SCHEMBL11453092 0.61 CA2 (0.61) ARMAP4K4RARBRARGALDH1A1
Ammonia Solution, Strong SCHEMBL22265084 0.61 CA2 (0.61) ARMAP4K4RARBRARGALDH1A1
SCHEMBL15347438 0.61 CA2 (0.61) ARMAP4K4RARBRARGALDH1A1
SCHEMBL27765473 0.61 CA2 (0.61) ARMAP4K4RARBRARGALDH1A1

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 3221/4885MAP4K4 1105/4885

“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.