SCHEMBL12694949

SCHEMBL12694949

O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)Oc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 9/20 0.66
▸ HDAC3 O15379 3/20 0.65
▸ HDAC4 P56524 3/20 0.65
▸ HDAC1 Q13547 3/20 0.65
▸ HDAC7 Q8WUI4 3/20 0.65
▸ HDAC2 Q92769 3/20 0.65
▸ HDAC10 Q969S8 3/20 0.65
▸ HDAC11 Q96DB2 3/20 0.65
▸ HDAC8 Q9BY41 3/20 0.65
▸ HDAC6 Q9UBN7 3/20 0.65
▸ HDAC9 Q9UKV0 3/20 0.65
▸ HDAC5 Q9UQL6 3/20 0.65
▸ MAOA P21397 2/20 0.65
▸ MAOB P27338 2/20 0.65
▸ MEN1 O00255 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ AURKA O14965 1/20 0.64
▸ PRKAB2 O43741 1/20 0.64

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
SCHEMBL21199305 0.85 STK17B (0.76) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL12694951 0.83 STK17B (0.66) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL12694944 0.81 TOP1 (0.74) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL19499394 0.80 STK17B (0.89) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL19462733 0.80 STK17B (0.89) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL22667800 0.80 STK17B (0.65) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL21046443 0.79 ELANE (0.76) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL19462898 0.79 MAOA (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL19462962 0.79 STK17B (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL30073662 0.79 MAOA (1.00) STK17BHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 — — US disclosed
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 — — US disclosed
US-20140135494-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-05-15 — — US disclosed
US-20140135494-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-05-15 — — US disclosed
US-8669363-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-03-11 — — US disclosed
US-8669363-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-03-11 — — US disclosed
US-20120245352-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2012-09-27 — — 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 (2 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-20140135494-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR STK17B 1252/4885HDAC3 1234/4885HDAC4 1697/4885
US-20120245352-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR STK17B 1252/4885HDAC3 1234/4885HDAC4 1697/4885

“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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