SCHEMBL12425753

SCHEMBL12425753

O=C(/C=C/c1ccc2[nH]c3ccccc3c2c1)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.61
▸ KIF11 P52732 1/20 0.56
▸ HDAC2 Q92769 11/20 0.55
▸ HDAC4 P56524 11/20 0.55
▸ HDAC8 Q9BY41 11/20 0.55
▸ HDAC6 Q9UBN7 11/20 0.55
▸ HDAC3 O15379 10/20 0.55
▸ HDAC7 Q8WUI4 9/20 0.55
▸ HDAC10 Q969S8 9/20 0.55
▸ HDAC11 Q96DB2 9/20 0.55
▸ HDAC9 Q9UKV0 9/20 0.55
▸ HDAC5 Q9UQL6 9/20 0.55
▸ NCOR2 Q9Y618 2/20 0.52
▸ MEF2D Q14814 1/20 0.52
▸ TET3 O43151 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ FOXO1 Q12778 1/20 0.51
▸ TET2 Q6N021 1/20 0.51
▸ PIK3C3 Q8NEB9 1/20 0.51
▸ TET1 Q8NFU7 1/20 0.51

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
SCHEMBL22804962 0.84 KIF11 (0.61) HDAC1KIF11HDAC2HDAC4HDAC8
SCHEMBL12408499 0.82 KIF11 (0.55) KIF11
SCHEMBL1071505 0.82 KIF11 (0.55) KIF11
SCHEMBL30440640 0.82 KIF11 (0.55) KIF11
SCHEMBL16806882 0.81 HDAC1 (0.70) HDAC1HDAC2HDAC4HDAC8HDAC6
SCHEMBL28217117 0.78 KIF11 (0.66) KIF11
SCHEMBL8069561 0.77 KIF11 (0.64) KIF11
SCHEMBL22203071 0.77 KIF11 (0.55) HDAC1KIF11
SCHEMBL16806734 0.76 HDAC1 (0.70) HDAC1HDAC2HDAC4HDAC8HDAC6
SCHEMBL32690705 0.76 HDAC1 (0.48) HDAC1HDAC2HDAC4HDAC8HDAC6

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
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US 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
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

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 3651/4885KIF11 4111/4885HDAC2 4243/4885

“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.

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