SCHEMBL13882718

SCHEMBL13882718

C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NC)cc23)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 12/20 0.88
▸ HDAC4 P56524 12/20 0.88
▸ HDAC1 Q13547 12/20 0.88
▸ HDAC7 Q8WUI4 12/20 0.88
▸ HDAC2 Q92769 12/20 0.88
▸ HDAC10 Q969S8 12/20 0.88
▸ HDAC11 Q96DB2 12/20 0.88
▸ HDAC8 Q9BY41 12/20 0.88
▸ HDAC6 Q9UBN7 12/20 0.88
▸ HDAC9 Q9UKV0 12/20 0.88
▸ HDAC5 Q9UQL6 12/20 0.88
▸ ERBB2 P04626 10/20 0.88
▸ EGFR P00533 10/20 0.88
▸ KDR P35968 6/20 0.88
▸ GAK O14976 3/20 0.88
▸ RIPK2 O43353 2/20 0.88
▸ BUB1 O43683 2/20 0.88
▸ STK10 O94804 2/20 0.88
▸ ABL1 P00519 2/20 0.88
▸ LCK P06239 2/20 0.88

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
SCHEMBL4740600 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Cudc-101 SCHEMBL29379912 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL641667 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8212688 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Cudc-101 SCHEMBL93769 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Cudc-101 SCHEMBL29350202 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642988 0.93 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL643712 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31424948 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8213005 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2009042646-A1 ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2009-04-02 — — 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 HDAC3 730/4885HDAC4 659/4885HDAC1 1025/4885
US-20130123203-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM CHAT, AHCY, SYNGR2 HDAC3 730/4885HDAC4 659/4885HDAC1 1025/4885

“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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