SCHEMBL4901360

SCHEMBL4901360

N#CC(N=C=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 2/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SGMS2 Q8NHU3 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.34
NR4A2 P43354 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL2269233 0.73 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4829905 0.71 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL3733672 0.69 SLC6A2 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7460759 0.69 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4782196 0.69 MAOB (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6141169 0.69 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL2673956 0.69 SLC6A2 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL2485067 0.69 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6239307 0.69 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4730931 0.69 MAOB (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
WO-2007025940-A1 SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-08 WO 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 SLC1A3 835/4885SLC1A2 507/4885SLC1A1 459/4885

“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.