SCHEMBL8049568

SCHEMBL8049568

N#CC(CCCCCC(=O)NO)(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC8 Q9BY41 9/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC4 P56524 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC10 Q969S8 3/20 0.47
ALOX5 P09917 1/20 0.40

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
SCHEMBL8049803 0.91 HDAC1 (0.47) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8045031 0.89 MMP3 (0.45) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8045199 0.85 HDAC1 (0.38) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8052937 0.85 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8049785 0.85 HDAC1 (0.37) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8035139 0.84 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8035137 0.84 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL25008815 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8044651 0.83 HDAC1 (0.50) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL8044839 0.82 CYSLTR2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP 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-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 6/4885HDAC8 4/4885

“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.