SCHEMBL4897519

SCHEMBL4897519

O=C(O)N[C@H](CO)Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
MME P08473 4/20 0.43
ACE P12821 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 1/20 0.42
PTGS2 P35354 1/20 0.42
EGFR P00533 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CTBP2 P56545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASR P41180 1/20 0.40
CXCL8 P10145 1/20 0.40

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
SCHEMBL22806858 0.81 MAPK1 (0.44) NPC1RAB9APPARGPPARACYP3A4
SCHEMBL25393773 0.81 MAPK1 (0.44) NPC1RAB9APPARGPPARACYP3A4
SCHEMBL18422575 0.79 LMNA (0.50) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL25217019 0.79 ATM (0.49) CYP3A4ACEMEN1KMT2A
SCHEMBL25270139 0.79 ATM (0.49) CYP3A4ACEMEN1KMT2A
SCHEMBL2973301 0.78 MAPK1 (0.68) NPC1RAB9ACYP3A4MAPK1MME
SCHEMBL3897966 0.78 MAPK1 (0.68) NPC1RAB9ACYP3A4MAPK1MME
SCHEMBL3959317 0.78 MAPK1 (0.68) NPC1RAB9ACYP3A4MAPK1MME
SCHEMBL3506326 0.77 PPARG (0.46) PPARGPPARACYP3A4MAPK1MME
SCHEMBL18577189 0.73 ROCK2 (0.57) PPARGPPARACYP3A4MAPK1MME

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 NPC1 2507/4885RAB9A 1685/4885PPARG 1002/4885

“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.