SCHEMBL2117694

SCHEMBL2117694

O=[N+]([O-])c1ccc2ccccc2c1-c1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.49
ALDH1A1 P00352 5/20 0.47
PIN1 Q13526 2/20 0.40
TDP1 Q9NUW8 4/20 0.40
TSHR P16473 2/20 0.40
CASP6 P55212 1/20 0.39
CTSB P07858 1/20 0.38
RRM1 P23921 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HNF4A P41235 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL2115245 0.79 CASP6 (0.53) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL5071421 0.77 ALDH1A1 (0.60) HPRT1ALDH1A1PIN1TDP1TSHR
SCHEMBL25184769 0.76 ALDH1A1 (0.50) HPRT1ALDH1A1PIN1TDP1TSHR
SCHEMBL6241864 0.74 ALDH1A1 (0.56) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL31219526 0.73 ALDH1A1 (0.59) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL17998719 0.73 ALDH1A1 (0.59) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL2116126 0.73 CYP2A6 (0.41) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL9162298 0.72 CTSB (0.59) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL19660346 0.71 HPRT1 (0.61) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL27791239 0.70 ALDH1A1 (0.50) HPRT1ALDH1A1TDP1TSHRCASP6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646657-B Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL CO JP 2012-08-08 CN disclosed
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 HPRT1 9/4885ALDH1A1 2454/4885PIN1 2729/4885

“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.