SCHEMBL4076953

SCHEMBL4076953

Cc1cc(N)c2cc(N(c3ccc4nc(C)cc(N)c4c3)c3ncnc(OCc4ccccc4)n3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRL1 P41146 10/20 0.42
TSHR P16473 1/20 0.42
NCF1 P14598 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
TERT O14746 1/20 0.38
METTL3 Q86U44 2/20 0.37
OPRM1 P35372 2/20 0.37
MAPT P10636 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRB3 P13945 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
SCHEMBL4077118 0.85 ALDH1A1 (0.45) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL4083571 0.82 ALDH1A1 (0.46) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL4079070 0.79 ALDH1A1 (0.44) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL6338669 0.78 OPRL1 (0.48) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL4076941 0.72 NCF1 (0.41) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL4076947 0.71 TERT (0.65) OPRL1DOT1LTERT
SCHEMBL6346659 0.71 OPRL1 (0.42) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL4077095 0.68 TERT (0.63) DOT1LTERT
SCHEMBL6595308 0.68 NCF1 (0.40) ALDH1A1CASP1CASP7HSD17B10OPRL1
SCHEMBL4081856 0.66 TERT (0.36) TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US claimed
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent AVENTIS PHARMA S.A. (FR) 2003-05-08 US claimed
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US disclosed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 US disclosed
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US disclosed
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-03-31 US disclosed
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent AVENTIS PHARMA S.A. (FR) 2003-05-08 US 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 (3 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-20030087931-A1 Chemical derivatives and their application as antitelomerease agent DNASE1L3, SERPINB1, BRDT ALDH1A1 1464/4885CASP1 2947/4885CASP7 1494/4885
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 ALDH1A1 567/4885CASP1 3738/4885CASP7 2750/4885
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents DPYD, NTPCR, NME1 ALDH1A1 567/4885CASP1 3738/4885CASP7 2750/4885

“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.