SCHEMBL4871843

SCHEMBL4871843

COCOc1ccc(NC(=O)N2CCCCc3ccccc32)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.62
LMNA P02545 3/20 0.62
MAPT P10636 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AVPR2 P30518 3/20 0.55
OXTR P30559 1/20 0.55
AVPR1A P37288 1/20 0.55
THRB P10828 3/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 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
SCHEMBL4870675 0.89 MAPT (0.57) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4869678 0.86 TP53 (0.62) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4871903 0.85 ATM (0.56) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4869990 0.82 TP53 (0.69) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4869507 0.82 MEN1 (0.54) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4872378 0.81 MAPT (0.68) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4870679 0.80 TP53 (0.67) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL24064606 0.79 LMNA (0.66) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4870698 0.79 TP53 (0.46) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL4867003 0.78 TP53 (0.51) TP53LMNAMAPTALDH1A1MAPK1

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 4170/4885LMNA 2162/4885MAPT 3398/4885

“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.