SCHEMBL3534448

SCHEMBL3534448

O=C(NO)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.74
CYSLTR1 Q9Y271 9/20 0.62
CYSLTR2 Q9NS75 5/20 0.62
PDE10A Q9Y233 3/20 0.62
FFAR1 O14842 1/20 0.60
AKR1B1 P15121 1/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
ALOX5 P09917 1/20 0.58

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
SCHEMBL28030533 0.88 GPBAR1 (0.72) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL7599570 0.86 GPBAR1 (0.82) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL12046916 0.86 CYSLTR1 (0.77) GPBAR1CYSLTR1CYSLTR2
SCHEMBL421067 0.85 GPBAR1 (1.00) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL3271439 0.84 CYSLTR1 (0.76) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL9581634 0.84 GPBAR1 (0.97) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL9581618 0.84 GPBAR1 (0.97) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL3271764 0.84 GPBAR1 (0.78) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL3270032 0.84 GPBAR1 (0.78) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1
SCHEMBL9129064 0.84 GPBAR1 (0.82) GPBAR1CYSLTR1CYSLTR2PDE10AFFAR1

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 12 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-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-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
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer TOPOTARGET UK LIMITED (GB) 2006-04-13 US disclosed
EP-1599449-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-11-30 EP disclosed
WO-2004076386-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-09-10 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-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer HDAC1, HDAC11, HDAC5 GPBAR1 2206/4885CYSLTR1 1950/4885CYSLTR2 1561/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 GPBAR1 1716/4885CYSLTR1 2635/4885CYSLTR2 2067/4885

“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.