SCHEMBL9409169

SCHEMBL9409169

COC=C(C#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 5/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 3/20 0.40
NQO2 P16083 3/20 0.40
LMNA P02545 3/20 0.39

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
SCHEMBL9409165 1.00 ALDH1A1 (0.47) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL10177473 0.79 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL1342675 0.79 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL1342671 0.79 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL12449495 0.78 SMN1; SMN2 (0.47) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL9514545 0.78 SMN1; SMN2 (0.43) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL4901564 0.78 SMN1; SMN2 (0.47) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL9514535 0.78 SMN1; SMN2 (0.43) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL4901552 0.78 SMN1; SMN2 (0.47) ALDH1A1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL11756950 0.76 CES2 (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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-9260448-B2 Thienopyrimidinone derivatives as mGluR1 antagonists KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-16 US disclosed
US-20140228565-A1 THIENOPYRIMIDINONE DERIVATIVES AS mGluR1 ANTAGONISTS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-14 US disclosed
EP-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP 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-20140228565-A1 THIENOPYRIMIDINONE DERIVATIVES AS mGluR1 ANTAGONISTS GRM1, GRIN1, GRM2 ALDH1A1 531/4885RAB9A 845/4885MAPT 224/4885

“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.