SCHEMBL164943

SCHEMBL164943

CNC(=O)c1nccnc1[O]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PLK1 P53350 1/20 0.35
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRKCI P41743 2/20 0.34
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
ATR Q13535 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIN1 Q13526 1/20 0.33
TSHR P16473 1/20 0.33
SCD O00767 1/20 0.33
CFTR P13569 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
SCHEMBL13544819 0.80 ALDH1A1 (0.41) YTHDC1ALDH1A1MAPTKDM4EPLK1
SCHEMBL28052540 0.78 YTHDC1 (0.37) YTHDC1ALDH1A1MAPTKDM4EPLK1
SCHEMBL13544546 0.78 KDM4E (0.56) YTHDC1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL8569871 0.78 KDM4E (0.40) YTHDC1ALDH1A1MAPTKDM4EPLK1
SCHEMBL164726 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EPRKCIL3MBTL1
SCHEMBL15204761 0.78 KMT2A (0.41) KDM4EHDAC6KMT2APARP1L3MBTL1
SCHEMBL163224 0.78 SMN1; SMN2 (0.42) ALDH1A1MAPTKDM4ETSHR
SCHEMBL11877003 0.77 MAPT (0.39) YTHDC1ALDH1A1MAPTKDM4EPLK1
SCHEMBL12497387 0.77 SCD (0.40) YTHDC1ALDH1A1MAPTKDM4EPLK1
SCHEMBL2593442 0.77 CASP1 (0.38) YTHDC1ALDH1A1MAPTKDM4EPLK1

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 YTHDC1 4547/4885ALDH1A1 1667/4885MAPT 261/4885

“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.