SCHEMBL4869441

SCHEMBL4869441

O=C(NCc1ccc(F)cc1)N1CCCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 3/20 0.58
AVPR2 P30518 2/20 0.58
THRB P10828 1/20 0.56
MAPT P10636 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4D Q08499 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
RAB9A P51151 1/20 0.52

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
SCHEMBL4865168 0.91 TP53 (0.71) TP53LMNAAVPR2THRBMAPT
SCHEMBL4862510 0.90 TP53 (0.56) TP53LMNAAVPR2THRBMAPT
SCHEMBL4868734 0.89 TP53 (0.62) TP53LMNAAVPR2THRBMAPT
SCHEMBL4865602 0.88 CHRM2 (0.62) TP53MEN1KMT2ALMNAAVPR2
SCHEMBL4862542 0.88 AVPR2 (0.63) TP53MEN1KMT2ALMNAAVPR2
SCHEMBL4863797 0.88 POLB (0.65) TP53MEN1KMT2ANPC1LMNA
SCHEMBL4867337 0.88 LMNA (0.53) TP53MEN1KMT2ANPC1LMNA
SCHEMBL4866093 0.88 HDAC1 (0.51) TP53MEN1KMT2ANPC1LMNA
SCHEMBL4865988 0.87 AVPR2 (0.60) TP53LMNAAVPR2THRBPRMT5
SCHEMBL4871029 0.87 TP53 (0.55) TP53MEN1KMT2ANPC1LMNA

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 651/4885KMT2A 2577/4885

“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.