SCHEMBL6331973

SCHEMBL6331973

O=C([CH]c1ccccc1)NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.65
HDAC1 Q13547 8/20 0.65
HDAC3 O15379 7/20 0.65
HDAC8 Q9BY41 7/20 0.65
HDAC6 Q9UBN7 6/20 0.65
HDAC4 P56524 5/20 0.65
HDAC7 Q8WUI4 5/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
EGFR P00533 3/20 0.48
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
TNKS O95271 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48

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
SCHEMBL1515233 0.79 HDAC3 (0.47) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL559917 0.79 HDAC2 (1.00) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL1325253 0.79 HDAC2 (1.00) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL94335 0.77 TGM2 (0.67) EGFRMMP1MMP2MMP9MAOB
SCHEMBL1515664 0.76 HTT (0.49) HDAC2HDAC1HDAC3HDAC8HDAC6
Styrene SCHEMBL4224293 0.74 HDAC2 (0.61) HDAC2HDAC1HDAC3HDAC8HDAC6
Styrene SCHEMBL4213157 0.74 HDAC2 (0.61) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL3638056 0.74 SLC6A19 (0.49) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL4962704 0.74 MME (0.51) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL7520233 0.74 ALDH1A1 (0.50) HDAC2HDAC1HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-14 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 (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-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT HDAC2 1130/4885HDAC1 1050/4885HDAC3 488/4885

“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.