SCHEMBL4866093

SCHEMBL4866093

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
LMNA P02545 4/20 0.45
AVPR2 P30518 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 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
SCHEMBL4871323 0.94 HDAC1 (0.48) HDAC1HDAC6MEN1KMT2ANPC1
SCHEMBL4871029 0.94 TP53 (0.55) HDAC1HDAC6MEN1KMT2ANPC1
SCHEMBL4867337 0.90 LMNA (0.53) HDAC1HDAC6MEN1KMT2ANPC1
SCHEMBL4869441 0.88 TP53 (0.61) MEN1KMT2ANPC1TP53ALDH1A1
SCHEMBL4863197 0.85 TP53 (0.50) NPC1TP53KDM4ELMNATHRB
SCHEMBL4871155 0.84 PDK1 (0.51) MEN1KMT2ANPC1TP53ALDH1A1
SCHEMBL4871341 0.84 PDK1 (0.54) HDAC1HDAC6MEN1KMT2ANPC1
SCHEMBL4860748 0.84 TP53 (0.55) HDAC1HDAC6MEN1KMT2ANPC1
SCHEMBL4865602 0.81 CHRM2 (0.62) MEN1KMT2ATP53CHRM2CHRM3
SCHEMBL4862510 0.81 TP53 (0.56) TP53CHRM2CHRM3LMNAAVPR2

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 HDAC1 666/4885HDAC6 1324/4885MEN1 651/4885

“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.