SCHEMBL4867337

SCHEMBL4867337

O=C(NCc1ccc(F)cc1)N1CCCCc2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
TP53 P04637 4/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
NOTUM Q6P988 1/20 0.49
POLB P06746 2/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4860748 0.94 TP53 (0.55) LMNATP53HDAC1HDAC6MEN1
SCHEMBL4871341 0.94 PDK1 (0.54) LMNATP53HDAC1HDAC6MEN1
SCHEMBL4871155 0.92 PDK1 (0.51) LMNATP53MEN1NPC1KMT2A
SCHEMBL4866093 0.90 HDAC1 (0.51) LMNATP53HDAC1HDAC6MEN1
SCHEMBL4869441 0.88 TP53 (0.61) LMNATP53MEN1NPC1KMT2A
SCHEMBL4870759 0.85 PDK1 (0.51) LMNATP53NPC1POLBPDK1
SCHEMBL4871029 0.84 TP53 (0.55) LMNATP53HDAC1HDAC6MEN1
SCHEMBL4871323 0.84 HDAC1 (0.48) LMNATP53HDAC1HDAC6MEN1
SCHEMBL4869012 0.83 PDK1 (0.55) LMNATP53MEN1NPC1KMT2A
SCHEMBL4865602 0.81 CHRM2 (0.62) LMNATP53MEN1KMT2ATHRB

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-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 claimed
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 LMNA 2162/4885TP53 4170/4885HDAC1 666/4885

“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.