SCHEMBL163477

SCHEMBL163477

CNC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.44
PLAU P00749 1/20 0.44
PSMD14 O00487 1/20 0.43
STAMBP O95630 1/20 0.43
COPS5 Q92905 1/20 0.43
BRD4 O60885 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HPGDS O60760 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL160411 0.87 PLK1 (0.50) PLK1PLAUPSMD14STAMBPCOPS5
SCHEMBL162474 0.83 MEN1 (0.46) HPGDSSMN1; SMN2RIPK1
SCHEMBL163498 0.83 HDAC3 (0.43) BRD4HDAC8HDAC6HDAC3HDAC1
SCHEMBL165080 0.83 BRD4 (0.43) BRD4HPGDSTSHRALDH1A1RIPK1
SCHEMBL160436 0.81 HDAC3 (0.51) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL162792 0.81 TSHR (0.47) PLAUPSMD14HPGDTSHRHTT
SCHEMBL162512 0.80 KMT2A (0.54) BRD4HPGDHTTSMN1; SMN2RAB9A
SCHEMBL162926 0.80 MEN1 (0.48) PSMD14HPGDTSHRKDM4EALDH1A1
SCHEMBL163276 0.79 ALDH1A1 (0.51) PLK1PLAUPSMD14STAMBPCOPS5
SCHEMBL15204760 0.79 ALDH1A1 (0.51) HPGDHTTSMN1; SMN2RAB9ANPC1

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 PLK1 1381/4885PLAU 11/4885PSMD14 999/4885

“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.