SCHEMBL5988872

SCHEMBL5988872

CNc1cc(C)nc2ccc(N)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.66
TERT O14746 3/20 0.57
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
CASP6 P55212 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
NCF1 P14598 2/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL6602282 0.82 NQO2 (0.61) NQO2TERTPOLBKDM4ELMNA
SCHEMBL6615983 0.81 TERT (0.59) NQO2TERTPOLBKDM4ELMNA
SCHEMBL24003950 0.79 TERT (0.57) NQO2TERTPOLBKDM4EL3MBTL1
SCHEMBL6846673 0.78 CYP1A2 (0.57) NQO2TERTPOLBKDM4ELMNA
SCHEMBL3235863 0.78 NCF1 (0.63) NQO2TERTPOLBKDM4ELMNA
SCHEMBL6613348 0.77 NQO2 (0.75) NQO2POLBKDM4ENCF1RAD52
SCHEMBL6617291 0.77 NQO2 (0.67) NQO2POLBKDM4ENCF1ALDH1A1
SCHEMBL23999412 0.77 TERT (0.55) NQO2TERTPOLBKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL30579056 0.77 NCF1 (0.61) NQO2TERTPOLBKDM4ELMNA
SCHEMBL1238925 0.77 CYP1A2 (0.60) TERTPOLBLMNAL3MBTL1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US disclosed
US-6903094-B2 Amide derivatives and nociceptin antagonists JAPAN TABACCO, INC. (JP) 2005-06-07 US disclosed
US-20040053966-A1 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMS S.A. 2004-03-18 US disclosed
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
US-6645964-B1 1,3,5-Triazine compounds substituted with aromatic N-heterocycle; anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2003-11-11 US disclosed
EP-1244650-B1 ARYLAMINE DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA SA (FR) 2003-06-25 EP disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US disclosed
CN-1402722-A Arylamine derivatives and their use as anti-telomerase agents AVENTIS PHARMA SA (FR) 2003-03-12 CN disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed
EP-1244650-A1 ARYLAMINE DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2002-10-02 EP disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US disclosed
WO-2001040218-A1 ARYLAMINE DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 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 (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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 NQO2 752/4885TERT 3158/4885POLB 3841/4885
US-20040053966-A1 Chemical derivatives and their application as antitelomerase agent NTPCR, DPYD, NME1 NQO2 101/4885TERT 168/4885POLB 344/4885
US-20060030565-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRM1 NQO2 464/4885TERT 2806/4885POLB 3711/4885

“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.