SCHEMBL7907317

SCHEMBL7907317

C=C(OCC)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 2/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TBXAS1 P24557 3/20 0.45
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6783785 0.80 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTTP53KMT2A
SCHEMBL29640466 0.80 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTTP53KMT2A
SCHEMBL12745709 0.80 DGAT1 (0.53) L3MBTL1ALDH1A1MAPTTP53KMT2A
SCHEMBL13853899 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ALMNAGAA
Hydrochloric Acid SCHEMBL7292271 0.79 DGAT1 (0.51) L3MBTL1ALDH1A1MAPTTP53KMT2A
Ethyl Nicotinate SCHEMBL24853 0.79 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTTP53KMT2A
Ethyl Nicotinate SCHEMBL29958752 0.79 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTTP53KMT2A
Ethyl Nicotinate SCHEMBL8164637 0.79 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTTP53KMT2A
Ethyl Nicotinate SCHEMBL1330922 0.79 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTTP53KMT2A
Hydrochloric Acid SCHEMBL1461215 0.79 DGAT1 (0.51) L3MBTL1ALDH1A1MAPTTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI L3MBTL1 4518/4885ALDH1A1 2920/4885MAPT 4412/4885

“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.