SCHEMBL163276

SCHEMBL163276

CNC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PLK1 P53350 2/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
NQO2 P16083 1/20 0.47
HIF1A Q16665 1/20 0.47
PLAU P00749 1/20 0.43
HPRT1 P00492 2/20 0.41
MTNR1A P48039 1/20 0.41
CASP3 P42574 1/20 0.41
GFER P55789 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BRD4 O60885 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL161821 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9APLK1
SCHEMBL162200 0.85 IMPDH2 (0.46) ALDH1A1KDM4ENPC1RAB9APLK1
SCHEMBL162219 0.85 NCEH1 (0.48) ALDH1A1KDM4ENPC1RAB9APLK1
SCHEMBL160411 0.85 PLK1 (0.50) ALDH1A1KDM4ENPC1RAB9APLK1
SCHEMBL163714 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL166312 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL28022444 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1RAB9APLK1
SCHEMBL163280 0.82 KMT2A (0.51) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL162740 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTHPRT1
SCHEMBL163094 0.81 SMN1; SMN2 (0.52) ALDH1A1KDM4ERAB9AHPGDMAPT

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 ALDH1A1 1667/4885KDM4E 2214/4885NPC1 1201/4885

“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.