SCHEMBL5871995

SCHEMBL5871995

COc1c[c]c2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CALM1 P0DP23 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL512386 0.75 KDM4E (0.31) NPC1RAB9AHPGDLMNAMAPT
SCHEMBL5871901 0.72 MAOB (0.33) NPC1RAB9ACYP3A4
SCHEMBL17289021 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5872221 0.71 CYP3A4 (0.47) CYP3A4CALM1
SCHEMBL746722 0.68 ALDH1A1 (0.56) NPC1RAB9AHPGDLMNAMAPT
SCHEMBL349051 0.68 CSNK1E (0.32)
SCHEMBL4403183 0.65 LMNA (0.41) CASP3SENP7HPGDLMNACYP1A2
SCHEMBL12866043 0.64 ALDH1A1 (0.42) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL5218336 0.64 ALDH1A1 (0.42) NPC1RAB9AHPGDCYP1A2CYP3A4
SCHEMBL31143764 0.64 KMT2A (0.46) NPC1RAB9ACASP3SENP7HPGD

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 4 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
US-5389620-A Bronchodilation agent, vasodilation BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 NPC1 367/4885RAB9A 1207/4885CASP3 1421/4885

“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.