SCHEMBL2115245

SCHEMBL2115245

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.53
HPRT1 P00492 1/20 0.49
ALDH1A1 P00352 6/20 0.47
CTSB P07858 3/20 0.45
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 7/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MPI P34949 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2117694 0.79 HPRT1 (0.49) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL9162298 0.78 CTSB (0.59) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL8944624 0.76 MAPT (0.53) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL27791239 0.76 ALDH1A1 (0.50) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL6241864 0.74 ALDH1A1 (0.56) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL28058443 0.74 CASP6 (0.66) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL589016 0.74 CASP6 (0.66) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL19660346 0.74 HPRT1 (0.61) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL17998719 0.73 ALDH1A1 (0.59) CASP6HPRT1ALDH1A1CTSBTSHR
SCHEMBL2117106 0.73 HPRT1 (0.42) HPRT1ALDH1A1TSHRTDP1MEN1

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 CASP6 2131/4885HPRT1 9/4885ALDH1A1 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.