SCHEMBL3514768

SCHEMBL3514768

O=C(NCCCO)c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.71
EPHX2 P34913 3/20 0.69
RAB9A P51151 3/20 0.66
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
KEAP1 Q14145 1/20 0.63
NFE2L2 Q16236 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALDH1A1 P00352 3/20 0.59
MAPT P10636 1/20 0.59
NAMPT P43490 1/20 0.59
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL16323089 0.94 THRB (0.67) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL16341081 0.94 THRB (0.67) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL9809561 0.92 RAB9A (0.76) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL17822214 0.92 EPHX2 (0.75) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL62572 0.90 THRB (0.75) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL30664046 0.90 THRB (0.75) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL5483064 0.90 EPHX2 (0.73) THRBEPHX2RAB9AKMT2AMEN1
SCHEMBL9763664 0.90 EPHX2 (0.73) THRBEPHX2RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL7321595 0.89 THRB (0.73) THRBEPHX2RAB9AKMT2AMEN1
Bromide SCHEMBL5671430 0.89 THRB (0.73) THRBEPHX2RAB9AKMT2AMEN1

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-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB THRB 2498/4885EPHX2 2891/4885RAB9A 1851/4885

“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.