SCHEMBL1734608

SCHEMBL1734608

COc1ccc(-c2cc(C(N)=O)nc(NCc3ccco3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 7/20 0.55
HSD17B10 Q99714 6/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPK1 P28482 3/20 0.55
TP53 P04637 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 9/20 0.53
TSHR P16473 7/20 0.53
HPGD P15428 5/20 0.53
ALOX15 P16050 3/20 0.53
GAA P10253 3/20 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
SCHEMBL1734586 0.90 KDM4E (0.66) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL1734611 0.87 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL1734297 0.82 TP53 (0.55) ALDH1A1MAPTLMNAMEN1TP53
SCHEMBL1733597 0.78 TP53 (0.51) ALDH1A1MAPTLMNATP53SMN1; SMN2
SCHEMBL1734499 0.78 VCP (0.67) ALDH1A1TP53KDM4EHPGDGAA
SCHEMBL1735531 0.78 KDM4E (0.45) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL1735688 0.76 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL1734442 0.75 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL1734123 0.73 VCP (0.51) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL31560174 0.71 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US 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 2670/4885MAPT 4639/4885HSD17B10 2845/4885

“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.