SCHEMBL1733739

SCHEMBL1733739

CCN(CC)c1nc(C(N)=O)cc(-c2ccccc2Oc2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
SCN9A Q15858 8/20 0.44
BRD4 O60885 1/20 0.43
FFAR4 Q5NUL3 2/20 0.40
CTNNB1 P35222 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ABL1 P00519 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1734511 0.87 KDM4E (0.66) KDM4EALDH1A1HPGDABL1MAPT
SCHEMBL1734477 0.86 KDM4E (0.65) KDM4ESMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL1733748 0.81 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL1733468 0.81 KDM4E (0.57) KDM4ENPSR1ALDH1A1HPGDABL1
SCHEMBL1733617 0.80 KDM4E (0.69) KDM4ESCN9ALMNA
SCHEMBL1733607 0.80 KDM4E (1.00) KDM4ESCN9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1733534 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1733665 0.77 KDM4E (0.64) KDM4EMEN1KMT2A
SCHEMBL1734279 0.77 KDM4E (0.64) KDM4ESCN9ANPSR1ALDH1A1HPGD
SCHEMBL1734502 0.76 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US claimed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 WO claimed
EP-1891018-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US claimed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO claimed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US 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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885SCN9A 963/4885BRD4 582/4885

“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.