SCHEMBL4868401

SCHEMBL4868401

O=C(Nc1ccccc1Cl)N1CCCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 2/20 0.56
AVPR2 P30518 1/20 0.55
AVPR1A P37288 1/20 0.55
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
USP2 O75604 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
SCHEMBL4869819 0.91 THRB (0.56) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4865033 0.88 TP53 (0.59) THRBMEN1KMT2AMAPTAVPR2
SCHEMBL4862586 0.88 TAS1R3 (0.59) THRBMEN1KMT2AAVPR2AVPR1A
SCHEMBL4868938 0.87 THRB (0.59) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4870081 0.87 LMNA (0.53) THRBMEN1KMT2AMAPTAVPR2
SCHEMBL4869055 0.85 MEN1 (0.60) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14089573 0.84 MEN1 (0.62) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4867520 0.83 LMNA (0.60) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4869800 0.82 MAPT (0.67) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4869990 0.81 TP53 (0.69) THRBMEN1KMT2ASMN1; SMN2MAPT

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 THRB 1930/4885MEN1 651/4885KMT2A 2577/4885

“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.