SCHEMBL4867067

SCHEMBL4867067

O=C(NCCNc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
POLB P06746 4/20 0.53
RECQL P46063 1/20 0.53
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
AVPR2 P30518 2/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OXTR P30559 1/20 0.50
AVPR1A P37288 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL4864926 0.93 TP53 (0.53) TP53SMN1; SMN2NPC1PKMNFKB1
SCHEMBL4860429 0.88 LMNA (0.58) POLBAVPR2LMNAMEN1KMT2A
SCHEMBL4869809 0.83 AVPR2 (0.58) TP53SMN1; SMN2POLBRECQLPRMT5
SCHEMBL4870647 0.83 TP53 (0.62) TP53POLBRECQLPRMT5WDR77
SCHEMBL4871945 0.81 AVPR2 (0.58) TP53SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL4867471 0.81 TP53 (0.81) TP53SMN1; SMN2NPC1PKMNFKB1
SCHEMBL4866080 0.81 PRMT5 (0.54) TP53SMN1; SMN2POLBRECQLPRMT5
SCHEMBL4865168 0.81 TP53 (0.71) TP53SMN1; SMN2POLBRECQLPRMT5
SCHEMBL4870003 0.81 TSHR (0.62) TP53SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4869628 0.81 NAMPT (0.58) TP53SMN1; SMN2NPC1NFKB1RAB9A

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 4170/4885SMN1; SMN2 2595/4885NPC1 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.