SCHEMBL6080185

SCHEMBL6080185

COC(=O)c1cc(O)c2cc(N3CCNCC3)cc(N)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IP6K1 Q92551 1/20 0.38
ADRB1 P08588 2/20 0.37
NQO2 P16083 2/20 0.37
HDAC3 O15379 3/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SCN9A Q15858 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
FYN P06241 1/20 0.35
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6081159 0.89 IP6K1 (0.44) KDM4EMEN1KMT2AIP6K1NQO2
SCHEMBL6592596 0.86 KDM4E (0.48) KDM4EIP6K1ADRB1HDAC3KCNH2
Hydrochloric Acid SCHEMBL6080145 0.85 KDM4E (0.47) KDM4EMEN1KMT2AIP6K1ADRB1
SCHEMBL6080877 0.77 KDM4E (0.40) KDM4EMEN1KMT2ANQO2HDAC3
SCHEMBL6079518 0.77 NQO2 (0.45) KDM4ENQO2MAPTALDH1A1POLB
SCHEMBL6080256 0.77 NQO2 (0.45) KDM4ENQO2MAPTALDH1A1HPGD
SCHEMBL6079337 0.76 KDM4E (0.48) KDM4EMEN1KMT2AADRB1ALDH1A1
SCHEMBL6081104 0.76 NQO2 (0.45) KDM4ENQO2MAPTALDH1A1POLB
SCHEMBL6080021 0.74 NQO2 (0.49) KDM4ENQO2MAPTALDH1A1HPGD
SCHEMBL6079733 0.74 NQO2 (0.43) KDM4EKMT2ANQO2MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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 (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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL KDM4E 1006/4885MEN1 740/4885KMT2A 1384/4885

“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.