SCHEMBL4869645

SCHEMBL4869645

COc1cccc(CNC(=O)N2CCCCc3ccccc32)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.78
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
THRB P10828 4/20 0.62
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TP53 P04637 3/20 0.57
MAPT P10636 2/20 0.56
AVPR2 P30518 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL4871802 0.89 THRB (0.76) LMNAALDH1A1MAPK1L3MBTL1THRB
SCHEMBL4865047 0.86 LMNA (0.75) LMNAALDH1A1THRBTP53MAPT
SCHEMBL4865168 0.84 TP53 (0.71) LMNATHRBSMN1; SMN2TP53MAPT
SCHEMBL4869545 0.84 LMNA (0.58) LMNATHRBTP53AVPR2
SCHEMBL4865602 0.84 CHRM2 (0.62) LMNATHRBTP53AVPR2
SCHEMBL4863797 0.81 POLB (0.65) LMNATHRBSMN1; SMN2TP53MAPT
SCHEMBL4865988 0.80 AVPR2 (0.60) LMNATHRBTP53AVPR2
SCHEMBL4871283 0.80 MAPT (0.62) LMNAALDH1A1THRBTP53MAPT
SCHEMBL4868521 0.80 TP53 (0.63) LMNATHRBTP53MAPT
SCHEMBL4868734 0.79 TP53 (0.62) LMNATHRBTSHRSMN1; SMN2TP53

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 LMNA 2162/4885ALDH1A1 3990/4885MAPK1 2006/4885

“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.