SCHEMBL162795

SCHEMBL162795

CCNC(=O)c1cc(O)c2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NQO2 P16083 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TRPM4 Q8TD43 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RIPK1 Q13546 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
PTPN1 P18031 1/20 0.41
PARP1 P09874 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 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
SCHEMBL161738 0.88 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL162959 0.85 SMN1; SMN2 (0.57) KDM4EALDH1A1HPGDHDAC3HDAC1
SCHEMBL162794 0.84 BRD4 (0.45) BRD4KDM4EALDH1A1MAPTHPGD
SCHEMBL160379 0.84 KMT2A (0.56) MEN1KMT2ANQO2KDM4EALDH1A1
SCHEMBL10435868 0.83 NAAA (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10695434 0.83 ALDH1A1 (0.57) MEN1KMT2ANQO2KDM4EALDH1A1
SCHEMBL5668127 0.82 MAPT (0.56) MEN1KMT2ANQO2KDM4EALDH1A1
SCHEMBL160412 0.82 PLK1 (0.50) BRD4NQO2KDM4EALDH1A1TRPM4
SCHEMBL13626644 0.81 HPGD (0.47) BRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL28344151 0.80 HDAC6 (0.52) NQO2KDM4ETRPM4PTPN1HDAC3

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 BRD4 3122/4885MEN1 4776/4885KMT2A 2544/4885

“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.