SCHEMBL12104396

SCHEMBL12104396

Cc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.65
▸ CA1 P00915 1/20 0.65
▸ CA2 P00918 1/20 0.65
▸ CA9 Q16790 1/20 0.65
▸ KMT2A Q03164 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ CASP3 P42574 1/20 0.60
▸ MMP13 P45452 1/20 0.55
▸ RGS4 P49798 1/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL29820192 0.84 CASP3 (0.65) CA12CA1CA2CA9HPGD
SCHEMBL8737445 0.84 CASP3 (0.65) CA12CA1CA2CA9HPGD
SCHEMBL31667079 0.84 CA1 (0.66) CA12CA1CA2CA9KMT2A
SCHEMBL17946340 0.83 KMT2A (0.67) CA12CA1KMT2AMEN1HPGD
SCHEMBL30472950 0.82 CASP3 (0.85) CA12CA1CA2CA9KMT2A
SCHEMBL326305 0.82 CASP3 (0.85) CA12CA1CA2CA9KMT2A
SCHEMBL31667378 0.81 CASP3 (0.63) CA12CA1CA2CA9KMT2A
SCHEMBL10922984 0.81 KMT2A (0.60) CA12CA1CA9KMT2AMEN1
SCHEMBL29819860 0.81 KMT2A (0.60) CA12CA1CA9KMT2AMEN1
SCHEMBL28350022 0.81 KMT2A (0.65) CA9KMT2AMEN1HPGDCASP3

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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 — — 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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 CA12 3097/4885CA1 2518/4885CA2 1581/4885

“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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