SCHEMBL2115440

SCHEMBL2115440

CN(C)C(=O)c1ccc(-c2nc(Cl)c(Cl)c(Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.52
TP53 P04637 8/20 0.52
ALDH1A1 P00352 7/20 0.52
CYP2D6 P10635 6/20 0.52
HPGD P15428 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HIF1A Q16665 1/20 0.52
CYP1A2 P05177 11/20 0.49
USP2 O75604 8/20 0.49
CLK4 Q9HAZ1 5/20 0.49
HSD17B10 Q99714 5/20 0.49
CYP2C9 P11712 1/20 0.49
HDAC4 P56524 1/20 0.49
CYP2C19 P33261 8/20 0.47
LMNA P02545 6/20 0.47
MAPK1 P28482 4/20 0.47
TSHR P16473 3/20 0.47

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
SCHEMBL2117350 0.77 CYP3A4 (0.54) CYP3A4TP53ALDH1A1CYP2D6HPGD
SCHEMBL10626283 0.77 ALDH1A1 (0.64) CYP3A4TP53ALDH1A1CYP2D6HPGD
SCHEMBL22259649 0.76 HPGD (0.53) CYP3A4ALDH1A1HPGDTDP1CYP1A2
SCHEMBL1004649 0.74 ALDH1A1 (0.73) CYP3A4TP53ALDH1A1CYP2D6HPGD
SCHEMBL2118444 0.74 ALDH1A1 (0.49) CYP3A4TP53ALDH1A1CYP2D6HPGD
SCHEMBL3630523 0.73 ALDH1A1 (0.59) ALDH1A1HPGDTDP1CYP1A2CYP2C19
SCHEMBL2117285 0.71 LMNA (0.57) ALDH1A1CYP2D6HPGDKDM4EMEN1
SCHEMBL22575128 0.71 CSNK2A1 (0.52) CYP3A4TP53ALDH1A1CYP2D6HPGD
SCHEMBL375967 0.71 NPC1 (0.58) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL18924446 0.71 HDAC1 (0.53) CYP3A4TP53ALDH1A1CYP2D6HPGD

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-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST CYP3A4 1172/4885TP53 161/4885ALDH1A1 2454/4885

“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.