SCHEMBL9944618

SCHEMBL9944618

CNC(=O)/C=C/c1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.50
PELI1 Q96FA3 2/20 0.49
HDAC2 Q92769 7/20 0.49
HDAC3 O15379 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC4 P56524 3/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADAM17 P78536 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL1434307 0.84 MMP1 (0.65) HDAC8PELI1HDAC2HDAC3HDAC6
SCHEMBL13392807 0.84 RAB9A (0.60) HDAC8HDAC1HDAC4KMT2AMAPT
SCHEMBL14926305 0.84 RAB9A (0.60) HDAC8HDAC1HDAC4KMT2AMAPT
SCHEMBL5039312 0.84 MMP1 (0.65) HDAC8PELI1HDAC2HDAC3HDAC6
SCHEMBL14244525 0.83 HDAC2 (0.67) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL12425744 0.83 HDAC2 (0.67) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL6608062 0.82 LMNA (0.56) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL6608068 0.82 LMNA (0.56) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL22695343 0.82 KMT2A (0.63) KMT2AMMP1MMP2MMP9EGFR
SCHEMBL11259207 0.82 HDAC2 (0.66) HDAC8HDAC2HDAC3HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US 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 (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 HDAC8 13/4885PELI1 4239/4885HDAC2 6/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 HDAC8 11/4885PELI1 4746/4885HDAC2 4/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC8 10/4885PELI1 3804/4885HDAC2 9/4885

“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.