SCHEMBL4865033

SCHEMBL4865033

O=C(Nc1cc(Cl)ccc1Cl)N1CCCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
MAPT P10636 1/20 0.59
AVPR2 P30518 2/20 0.57
AVPR1A P37288 1/20 0.57
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
THRB P10828 1/20 0.53
USP2 O75604 1/20 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
SCHEMBL4862586 0.91 TAS1R3 (0.59) TP53AVPR2AVPR1ALMNAMEN1
SCHEMBL4868401 0.88 THRB (0.59) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL4867520 0.84 LMNA (0.60) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL4869800 0.83 MAPT (0.67) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL4870081 0.82 LMNA (0.53) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL4863845 0.82 MEN1 (0.67) TP53MAPTLMNAMEN1KMT2A
SCHEMBL4869819 0.82 THRB (0.56) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL4869990 0.82 TP53 (0.69) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL4868938 0.80 THRB (0.59) TP53MAPTAVPR2AVPR1ALMNA
SCHEMBL24064606 0.79 LMNA (0.66) TP53MAPTAVPR2AVPR1ALMNA

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 TP53 4170/4885MAPT 3398/4885AVPR2 124/4885

“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.