SCHEMBL163498

SCHEMBL163498

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
BRD4 O60885 1/20 0.43
RIPK1 Q13546 1/20 0.42
HPGDS O60760 1/20 0.41
RAB9A P51151 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IP6K1 Q92551 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
SCHEMBL160436 0.89 HDAC3 (0.51) HDAC3HDAC1HDAC2RIPK1HDAC4
SCHEMBL162794 0.88 BRD4 (0.45) HDAC3HDAC1HDAC2BRD4RIPK1
SCHEMBL162978 0.86 SMN1; SMN2 (0.55) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL162512 0.85 KMT2A (0.54) BRD4RAB9AMEN1KMT2AALDH1A1
SCHEMBL163477 0.83 PLK1 (0.44) HDAC3HDAC1HDAC2BRD4RIPK1
SCHEMBL15204760 0.81 ALDH1A1 (0.51) RAB9AMEN1KMT2AALDH1A1
SCHEMBL161821 0.80 ALDH1A1 (0.44) HDAC3HDAC1HDAC2BRD4RIPK1
SCHEMBL162474 0.79 MEN1 (0.46) RIPK1HPGDSMEN1KMT2A
SCHEMBL165080 0.79 BRD4 (0.43) BRD4RIPK1HPGDSMEN1KMT2A
SCHEMBL3949393 0.78 HDAC3 (0.62) HDAC3HDAC1HDAC2RAB9ANR1H4

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.