SCHEMBL14933783

SCHEMBL14933783

C[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.74
▸ HDAC2 Q92769 10/20 0.74
▸ HDAC3 O15379 9/20 0.74
▸ HDAC8 Q9BY41 9/20 0.74
▸ HDAC6 Q9UBN7 9/20 0.74
▸ HDAC4 P56524 7/20 0.74
▸ HDAC7 Q8WUI4 7/20 0.74
▸ HDAC10 Q969S8 7/20 0.74
▸ HDAC11 Q96DB2 7/20 0.74
▸ HDAC9 Q9UKV0 7/20 0.74
▸ HDAC5 Q9UQL6 7/20 0.74
▸ NCOR2 Q9Y618 2/20 0.59
▸ POLB P06746 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL675363 1.00 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14946979 0.88 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC8HDAC6
Ar-42 SCHEMBL31140841 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
Ar-42 SCHEMBL675409 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
Ar-42 SCHEMBL2348844 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL673385 0.84 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7748974 0.84 POLB (0.66) POLBALDH1A1MAPTHTTMEN1
SCHEMBL17365594 0.84 POLB (0.66) POLBALDH1A1MAPTHTTMEN1
SCHEMBL673569 0.82 ALDH1A1 (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL676046 0.82 MAPT (0.71) HDAC1HDAC2HDAC3HDAC8HDAC6

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
EP-2859890-A2 Methods and compositions for treatment of autism The Johns Hopkins University (US) 2015-04-15 — — EP disclosed
US-20150051288-A1 Methods and Compositions for Treatment of Autism UNIV JOHNS HOPKINS (US) 2015-02-19 — — US disclosed
US-8937050-B2 Methods and compositions for treatment of autism THE JOHNS HOPKINS UNIVERSITY (US) 2015-01-20 — — US disclosed
US-20130123203-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM KENNEDY KRIEGER INSTITUTE, INC. 2013-05-16 — — US disclosed
WO-2013067040-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM THE JOHNS HOPKINS UNIVERSITY (US) 2013-05-10 — — 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 (2 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-20150051288-A1 Methods and Compositions for Treatment of Autism CHAT, AHCY, SYNGR2 HDAC1 1025/4885HDAC2 523/4885HDAC3 730/4885
US-20130123203-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM CHAT, AHCY, SYNGR2 HDAC1 1025/4885HDAC2 523/4885HDAC3 730/4885

“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.

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