SCHEMBL4895053

SCHEMBL4895053

O=C(Nc1cnc2ccccc2c1)N1CCCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HSD17B10 Q99714 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
POLB P06746 2/20 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
SCHEMBL4868708 0.81 MAPT (0.59) TP53NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4871071 0.80 MAPT (0.58) TP53NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4867471 0.79 TP53 (0.81) TP53NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7099545 0.78 RAB9A (0.49) TP53NPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4869023 0.78 TP53 (0.78) TP53NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4870684 0.77 MAPT (0.67) TP53NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4867520 0.76 LMNA (0.60) TP53NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4863076 0.76 MAPT (0.69) TP53NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL4900818 0.76 LMNA (0.51) TP53NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL4869798 0.75 LMNA (0.69) TP53NPC1SMN1; SMN2RAB9AALDH1A1

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 4170/4885NPC1 630/4885SMN1; SMN2 2595/4885

“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.