SCHEMBL160436

SCHEMBL160436

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.51
HDAC1 Q13547 8/20 0.51
HDAC2 Q92769 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RIPK1 Q13546 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
NAAA Q02083 1/20 0.42

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
SCHEMBL162978 0.92 SMN1; SMN2 (0.55) HDAC3HDAC1HDAC2L3MBTL1GAA
SCHEMBL163498 0.89 HDAC3 (0.43) HDAC3HDAC1HDAC2ALDH1A1RIPK1
SCHEMBL161737 0.89 ALDH1A1 (0.56) HDAC3HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL162512 0.82 KMT2A (0.54) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL163714 0.81 ALDH1A1 (0.48) HDAC3HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL163477 0.81 PLK1 (0.44) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL162958 0.81 SMN1; SMN2 (0.57) HDAC3HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL6360257 0.79 HDAC3 (0.72) HDAC3HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL15204760 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL165080 0.77 BRD4 (0.43) ALDH1A1RIPK1KMT2A

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 HDAC3 1776/4885HDAC1 2568/4885HDAC2 2845/4885

“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.