SCHEMBL5872017

SCHEMBL5872017

CCCn1c(=O)cc(O)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.49
PDE4D Q08499 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
FEN1 P39748 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPT P10636 3/20 0.40
COMT P21964 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 1/20 0.40
ADORA1 P30542 1/20 0.39
HTR3E A5X5Y0 1/20 0.39

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
SCHEMBL1523205 0.92 ALDH1A1 (0.63) ALDH1A1KDM4EPDE4DPDE4APDE4B
SCHEMBL5872072 0.90 KDM4E (0.60) ALDH1A1KDM4EPDE4DPDE4APDE4B
SCHEMBL1523271 0.85 RXFP1 (0.51) ALDH1A1KDM4EFEN1MAPTMEN1
SCHEMBL5871967 0.80 FEN1 (0.54) ALDH1A1KDM4EFEN1MAPTCOMT
SCHEMBL8695153 0.80 HSD17B10 (0.47) ALDH1A1KDM4EPDE4DPDE4APDE4B
SCHEMBL829931 0.79 MEN1 (0.63) ALDH1A1KDM4EPDE4DPDE4APDE4B
SCHEMBL17461858 0.78 PDE4A (0.51) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL7462175 0.76 ALDH1A1 (0.83) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5871817 0.76 MAPT (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3514617 0.75 FEN1 (0.47) ALDH1A1KDM4EFEN1MAPTCOMT

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-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
EP-1172109-A1 COMPOSITIONS FOR PREVENTING AND TREATING TYPE I ALLERGY Sunstar Inc. (JP) 2002-01-16 EP disclosed
EP-1172443-A1 METHOD FOR SCREENING CYSTEINE PROTEASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-01-16 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 ALDH1A1 272/4885KDM4E 4050/4885PDE4D 1360/4885

“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.