SCHEMBL6842061

SCHEMBL6842061

[NH]c1c2ccccc2nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
GLA P06280 5/20 0.56
HPGD P15428 4/20 0.56
MAOA P21397 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ACHE P22303 2/20 0.56
NQO2 P16083 2/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL6788479 0.77 GPR3 (0.57) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL1502392 0.77 ALDH1A1 (0.62) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL13400206 0.74 ALDH1A1 (0.59) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL2883734 0.72 ALDH1A1 (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL4894495 0.72 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL23172252 0.72 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL10672209 0.72 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL17423367 0.72 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL9291584 0.72 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA
SCHEMBL14881743 0.72 KDM4E (0.56) KDM4EALDH1A1GLAHPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP disclosed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO disclosed
EP-0155854-B1 NON-RADIOACTIVE BIOLOGICAL PROBES BRESATEC LIMITED (AU) 1990-09-26 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM KDM4E 2488/4885ALDH1A1 2856/4885GLA 3888/4885

“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.