SCHEMBL1734583

SCHEMBL1734583

COc1ccc(Cl)cc1-c1cc(C(N)=O)nc(N2CCCCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 7/20 0.62
HPGD P15428 6/20 0.62
GAA P10253 2/20 0.62
TP53 P04637 1/20 0.62
HSD17B10 Q99714 4/20 0.56
TSHR P16473 3/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 3/20 0.48
HRH4 Q9H3N8 1/20 0.47
GLA P06280 1/20 0.46
GBA1 P04062 2/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1733553 0.88 KDM4E (0.72) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1733573 0.87 KDM4E (0.62) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1734273 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1734475 0.85 KDM4E (0.61) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1734377 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1735584 0.84 KDM4E (0.62) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1734594 0.83 KDM4E (0.74) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1734596 0.82 HPGD (0.77) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1733689 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAATP53
SCHEMBL1734143 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDGAATP53

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 ALDH1A1 2670/4885KDM4E 3910/4885HPGD 1462/4885

“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.