SCHEMBL4871029

SCHEMBL4871029

O=C(NCc1ccccc1)N1CCCCc2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.48
AVPR2 P30518 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 2/20 0.46
NAMPT P43490 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4866093 0.94 HDAC1 (0.51) TP53MEN1NPC1KMT2AALDH1A1
SCHEMBL4863197 0.91 TP53 (0.50) TP53NPC1LMNATHRBMAPT
SCHEMBL4871323 0.91 HDAC1 (0.48) TP53MEN1NPC1KMT2AALDH1A1
SCHEMBL4860748 0.91 TP53 (0.55) TP53MEN1NPC1KMT2AALDH1A1
SCHEMBL4869441 0.87 TP53 (0.61) TP53MEN1NPC1KMT2AALDH1A1
SCHEMBL4865168 0.85 TP53 (0.71) TP53LMNAAVPR2THRBMAPT
SCHEMBL4865602 0.85 CHRM2 (0.62) TP53MEN1KMT2ALMNAAVPR2
SCHEMBL4867337 0.84 LMNA (0.53) TP53MEN1NPC1KMT2AALDH1A1
SCHEMBL4870759 0.82 PDK1 (0.51) TP53NPC1LMNATHRBMAPT
SCHEMBL4862510 0.82 TP53 (0.56) TP53LMNAAVPR2CHRM2CHRM4

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 TP53 4170/4885MEN1 651/4885NPC1 630/4885

“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.