SCHEMBL3532304

SCHEMBL3532304

O=C(O)C=CC=Cc1ccc2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.79
KDM4E B2RXH2 6/20 0.79
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56

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
SCHEMBL3532302 1.00 LMNA (0.79) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL372572 0.88 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL902324 0.88 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3537989 0.83 HDAC6 (0.81) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3537987 0.83 HDAC6 (0.81) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL12047160 0.82 KDM4E (0.60) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL714134 0.80 RAB9A (0.79) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL714135 0.80 RAB9A (0.79) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL29839704 0.78 RAB9A (0.59) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL7966451 0.78 LMNA (0.69) LMNAKDM4EMAPTSMN1; SMN2HTT

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 6 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-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 LMNA 155/4885KDM4E 35/4885MAPT 1162/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 LMNA 364/4885KDM4E 72/4885MAPT 1742/4885

“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.