SCHEMBL4863197

SCHEMBL4863197

O=C(NCc1ccc(OCc2ccccc2)cc1)N1CCCCc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 5/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4870759 0.92 PDK1 (0.51) TP53MAPTLMNAKDM4ENPC1
SCHEMBL4871029 0.91 TP53 (0.55) TP53MAPTLMNANPC1SMN1; SMN2
SCHEMBL4868920 0.89 TP53 (0.53) TP53MAPTLMNATHRB
SCHEMBL4869012 0.89 PDK1 (0.55) TP53MAPTLMNAKDM4ENPC1
SCHEMBL4868521 0.88 TP53 (0.63) TP53MAPTLMNATHRB
SCHEMBL4866093 0.85 HDAC1 (0.51) TP53MAPTLMNAKDM4ENPC1
SCHEMBL4862299 0.85 PDK1 (0.60) TP53MAPTLMNAKDM4ENPC1
SCHEMBL4871323 0.85 HDAC1 (0.48) TP53MAPTLMNAKDM4ENPC1
SCHEMBL4860748 0.82 TP53 (0.55) TP53MAPTLMNANPC1SMN1; SMN2
SCHEMBL4863029 0.82 TP53 (0.53) TP53MAPTLMNATHRBPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 TP53 4170/4885MAPT 3398/4885LMNA 2162/4885

“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.