SCHEMBL3532228

SCHEMBL3532228

Cc1ccc2nc(/C=C/C(=O)O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
LMNA P02545 2/20 0.62
PFKFB3 Q16875 2/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50

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
SCHEMBL3532231 1.00 KDM4E (0.62) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL3534014 0.89 PFKFB3 (0.66) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL3534009 0.89 PFKFB3 (0.66) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL30209643 0.86 PFKFB3 (0.52) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL3590241 0.84 HDAC1 (0.71) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL3590247 0.84 HDAC1 (0.71) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL29596601 0.83 RAB9A (0.67) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2
SCHEMBL3529705 0.82 HDAC8 (0.73) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL3529700 0.82 HDAC8 (0.73) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL3531030 0.81 KDM4E (0.62) KDM4ELMNAPFKFB3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO 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-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 KDM4E 35/4885LMNA 155/4885PFKFB3 4160/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 KDM4E 72/4885LMNA 364/4885PFKFB3 3490/4885

“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.