SCHEMBL2118444

SCHEMBL2118444

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 5/20 0.49
MAPT P10636 5/20 0.49
TSHR P16473 5/20 0.49
CYP3A4 P08684 5/20 0.49
LMNA P02545 4/20 0.49
CYP2D6 P10635 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GLA P06280 1/20 0.49
RECQL P46063 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 5/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 4/20 0.44
HBB P68871 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10601440 0.83 ALDH1A1 (0.58) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL7378456 0.80 MAPT (0.49) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL2117753 0.79 LMNA (0.43) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL10753859 0.78 CYP3A4 (0.72) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL2117285 0.77 LMNA (0.57) ALDH1A1CYP1A2MAPTLMNACYP2D6
SCHEMBL375967 0.76 NPC1 (0.58) ALDH1A1CYP1A2MAPTLMNAKDM4E
SCHEMBL11235698 0.76 CYP1A2 (0.57) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL14414238 0.74 LMNA (0.40) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL2115440 0.74 CYP3A4 (0.52) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL8488150 0.73 HRH4 (0.60) ALDH1A1CYP1A2MAPTTSHRCYP3A4

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 ALDH1A1 2454/4885CYP1A2 777/4885MAPT 4738/4885

“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.