SCHEMBL4870912

SCHEMBL4870912

O=C(Nc1ccccc1)OCCOC1CCCN(C(=O)Nc2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FKBP1A P62942 1/20 0.43
CNR2 P34972 1/20 0.42
BCHE P06276 4/20 0.42
ACHE P22303 2/20 0.42
MAOB P27338 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4863835 0.83 MAPT (0.47) NPC1RAB9ASMN1; SMN2HTTTP53
SCHEMBL4870689 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TSHRTP53
SCHEMBL4867117 0.76 AVPR2 (0.56) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL4898349 0.75 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL4871884 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL4869477 0.74 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TSHRTP53
SCHEMBL4865006 0.74 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TSHRTP53
Hydrochloric Acid SCHEMBL4871067 0.73 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL4869815 0.69 MAPT (0.43) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL4867516 0.69 AVPR2 (0.56) NPC1RAB9ASMN1; SMN2TP53PKM

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 NPC1 630/4885RAB9A 4025/4885SMN1; 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.