SCHEMBL18019658

SCHEMBL18019658

C=CC(=O)Nc1ccc(CCNC(=O)C2CNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.50
▸ THRA P10827 1/20 0.50
▸ NAMPT P43490 1/20 0.43
▸ TGM2 P21980 10/20 0.43
▸ F13A1 P00488 2/20 0.43
▸ TGM1 P22735 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TGM3 Q08188 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DPP4 P27487 1/20 0.39

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
SCHEMBL18019870 0.89 THRB (0.47) THRBTHRANAMPTTGM2F13A1
SCHEMBL11511625 0.82 THRA (0.61) THRBTHRATGM2F13A1TGM1
SCHEMBL21397350 0.77 HTR2C (0.49) THRBTHRATGM2F13A1TGM1
SCHEMBL12312359 0.75 THRA (0.57) THRBTHRATGM2F13A1TGM1
SCHEMBL8867192 0.73 THRA (0.65) THRBTHRATGM2F13A1TGM1
SCHEMBL8867209 0.73 THRA (0.65) THRBTHRATGM2F13A1TGM1
Hydrochloric Acid SCHEMBL21641210 0.72 HSD17B10 (0.57) NAMPTMC4RDPP4
SCHEMBL18019652 0.72 ALDH1A1 (0.46) MC4RMEN1KMT2A
SCHEMBL12265208 0.71 THRA (0.63) THRBTHRATGM2F13A1TGM1
SCHEMBL12832351 0.71 THRB (0.77) THRBTHRATGM2F13A1TGM1

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-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 — — US disclosed
WO-2016128140-A1 PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-08-18 — — 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-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD THRB 2244/4885THRA 1978/4885NAMPT 235/4885

“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.

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