SCHEMBL18376355

SCHEMBL18376355

NCCC(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
RECQL P46063 1/20 0.59
HPGD P15428 2/20 0.56
MAPK14 Q16539 3/20 0.56
TPSAB1 Q15661 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 2/20 0.53
FFAR1 O14842 2/20 0.53
NPC1 O15118 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTT P42858 1/20 0.52
MMP13 P45452 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL22560078 0.86 CYP3A4 (0.66) TSHRRECQLHPGDMAPK14GAA
SCHEMBL7353744 0.85 GAA (0.75) TSHRRECQLHPGDTPSAB1GAA
SCHEMBL29531512 0.84 EPHX2 (0.67) HPGDMAPK14GAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1128739 0.83 GAA (0.72) TSHRRECQLHPGDTPSAB1GAA
SCHEMBL14944099 0.83 MAPK14 (0.61) TSHRRECQLHPGDMAPK14ALDH1A1
SCHEMBL13192876 0.83 HPGD (0.62) TSHRRECQLHPGDMAPK14GAA
SCHEMBL13192880 0.83 RNF4 (0.62) TSHRRECQLHPGDMAPK14GAA
SCHEMBL10133183 0.83 NPC1 (0.75) TSHRRECQLHPGDMAPK14GAA
SCHEMBL8935458 0.82 GAA (0.66) TPSAB1GAAALDH1A1KMT2AMEN1
SCHEMBL27593863 0.82 HPGD (0.61) RECQLHPGDMAPK14GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007588-A1 SMALL MOLECULE INHIBITORS OF XBP1 SPLICING GEORGETOWN UNIVERSITY (US) 2017-01-12 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-20170007588-A1 SMALL MOLECULE INHIBITORS OF XBP1 SPLICING XBP1, RBM17, ERN2 TSHR 3205/4885RECQL 2201/4885HPGD 3265/4885

“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.