SCHEMBL7829154

SCHEMBL7829154

O=C(CCCC/C=C/c1ccc2ccccc2n1)NO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.64
HDAC8 Q9BY41 12/20 0.64
HDAC2 Q92769 13/20 0.56
HDAC3 O15379 11/20 0.56
HDAC6 Q9UBN7 11/20 0.56
HDAC4 P56524 10/20 0.56
HDAC7 Q8WUI4 9/20 0.56
HDAC10 Q969S8 9/20 0.56
HDAC11 Q96DB2 9/20 0.56
HDAC9 Q9UKV0 9/20 0.56
HDAC5 Q9UQL6 9/20 0.56
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7832354 1.00 HDAC1 (0.64) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7832648 1.00 HDAC1 (0.64) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7831099 0.96 HDAC1 (0.58) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7831097 0.96 HDAC1 (0.58) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7832237 0.85 CYSLTR2 (0.59) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7832861 0.85 CYSLTR2 (0.59) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7832243 0.85 CYSLTR2 (0.59) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7820491 0.81 CYSLTR2 (0.60) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7820483 0.81 CYSLTR2 (0.60) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL8650189 0.81 CYSLTR2 (0.55) HDAC1HDAC8HDAC2HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP claimed
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-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 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 1/4885HDAC8 4/4885HDAC2 6/4885

“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.