SCHEMBL13587277

SCHEMBL13587277

CN1CCN(C2(CNC(=O)c3ccncc3)CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
HCN1 O60741 6/20 0.48
NAMPT P43490 5/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HCN4 Q9Y3Q4 4/20 0.45
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4379408 0.88 KDM4E (0.47) HCN1NAMPTKDM4EPKMHCN4
SCHEMBL13587111 0.87 TP53 (0.61) TP53LMNATHRBHCN1HCN4
SCHEMBL12342527 0.81 TP53 (0.56) TP53LMNATHRBHCN1HCN4
Hydrochloric Acid SCHEMBL2361490 0.80 TP53 (0.55) TP53LMNATHRBHCN1HCN4
SCHEMBL13587113 0.80 GPR119 (0.43) NAMPTMEN1KMT2A
SCHEMBL15267614 0.77 OPRM1 (0.47) TP53LMNATHRBHCN1NAMPT
SCHEMBL29104084 0.73 USP2 (0.44) TP53THRB
SCHEMBL4379695 0.73 HCN1 (0.46) TP53LMNATHRBHCN1NAMPT
SCHEMBL4238923 0.73 CYP3A4 (0.60) MEN1KMT2A
SCHEMBL13587114 0.72 USP2 (0.43) TP53THRBNAMPTKMT2A

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-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 TP53 4231/4885LMNA 2316/4885THRB 1798/4885

“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.