SCHEMBL163431

SCHEMBL163431

CCNC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.43
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KDR P35968 2/20 0.39
AURKA O14965 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 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
SCHEMBL161852 0.89 ALDH1A1 (0.50) L3MBTL1KDM4EALDH1A1GAAHPGD
SCHEMBL165580 0.86 KMT2A (0.49) KMT2AL3MBTL1BRD4KDM4EHPGD
SCHEMBL162557 0.86 TSHR (0.57) L3MBTL1RAB9AHPGDHDAC3HDAC1
SCHEMBL162648 0.85 KMT2A (0.51) KMT2ARAB9AKDM4EALDH1A1GAA
SCHEMBL162966 0.83 PLK1 (0.51) RAB9ABRD4KDM4EALDH1A1GAA
SCHEMBL8045771 0.83 KDM4E (0.56) KMT2AL3MBTL1RAB9ABRD4KDM4E
SCHEMBL160720 0.82 KMT2A (0.46) KMT2AL3MBTL1BRD4KDM4EALDH1A1
SCHEMBL162824 0.81 KMT2A (0.54) KMT2AL3MBTL1RAB9AKDM4EALDH1A1
SCHEMBL163283 0.79 MAOA (0.48) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL161664 0.79 MAOA (0.48) KDM4EALDH1A1GAAKDRAURKA

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 KMT2A 2544/4885L3MBTL1 1654/4885RAB9A 3460/4885

“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.