SCHEMBL164683

SCHEMBL164683

CNC(=O)c1cc([O])[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.42
PIM1 P11309 2/20 0.41
GSK3B P49841 2/20 0.41
CHEK1 O14757 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAPK14 Q16539 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALPL P05186 2/20 0.39
MAPK1 P28482 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
HCAR2 Q8TDS4 3/20 0.38

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
SCHEMBL23185764 0.80 CHEK1 (0.57) BAZ2BPIM1GSK3BCHEK1RET
SCHEMBL2619220 0.80 DAO (0.62) BAZ2BALPLHCAR2DAOLMNA
SCHEMBL160116 0.79 KMT2A (0.42) ALPLMAPK1LMNAGAAKDM4E
SCHEMBL164014 0.79 ADORA3 (0.45) ALPLMAPK1HCAR2KDM4ENPC1
SCHEMBL162816 0.79 HDAC3 (0.43) ALPLMAPK1HCAR2MAPTCYP3A4
SCHEMBL12694613 0.78 BAZ2B (0.41) BAZ2BPIM1GSK3BCHEK1RET
SCHEMBL18236174 0.78 ALPL (0.41) BAZ2BPIM1GSK3BCHEK1RET
SCHEMBL20488775 0.77 CHEK1 (0.50) PIM1GSK3BCHEK1RETPDGFRB
SCHEMBL162591 0.77 HDAC3 (0.48) HCAR2LMNAGAANPC1ALDH1A1
SCHEMBL163583 0.76 MAPK1 (0.67) ALPLMAPK1HCAR2DAOLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 BAZ2B 2722/4885PIM1 2614/4885GSK3B 1177/4885

“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.