SCHEMBL8302981

SCHEMBL8302981

Cc1cccc(/C=C/C(=O)NO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.65
HDAC8 Q9BY41 8/20 0.65
HDAC3 O15379 6/20 0.65
HDAC2 Q92769 6/20 0.65
HDAC6 Q9UBN7 6/20 0.65
HDAC4 P56524 6/20 0.65
MMP1 P03956 4/20 0.63
MMP2 P08253 4/20 0.63
MMP9 P14780 4/20 0.63
MAOA P21397 2/20 0.63
MAOB P27338 2/20 0.63
EGFR P00533 1/20 0.63
HDAC7 Q8WUI4 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL28872986 0.85 MMP1 (0.57) HDAC1HDAC3MMP1MMP2MMP9
SCHEMBL26961102 0.82 HDAC3 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL27125006 0.82 HDAC3 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL5599097 0.82 CYP1A2 (0.61) MMP1MMP2MMP9MAOAMAOB
SCHEMBL5599099 0.82 CYP1A2 (0.61) MMP1MMP2MMP9MAOAMAOB
SCHEMBL3030600 0.81 MMP1 (0.79) MMP1MMP2MMP9MAOAMAOB
SCHEMBL25504025 0.81 MMP1 (0.57) MMP1MMP2MMP9MAOAMAOB
SCHEMBL8413607 0.81 MMP1 (0.57) MMP1MMP2MMP9MAOAMAOB
SCHEMBL3030602 0.81 MMP1 (0.79) MMP1MMP2MMP9MAOAMAOB
SCHEMBL12425741 0.81 HDAC2 (0.69) HDAC1HDAC8HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020026054-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2020-02-06 WO disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 WO disclosed
WO-2004082638-A2 HISTONE DEACETYLASE INHIBITORS SYRRX, INC. (US) 2004-09-30 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 (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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC1 3651/4885HDAC8 3068/4885HDAC3 2208/4885

“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.