SCHEMBL5775992

SCHEMBL5775992

O=C(COCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1)NO

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.78
HDAC1 Q13547 3/20 0.78
GPX4 P36969 1/20 0.58
TAAR1 Q96RJ0 1/20 0.54
TRPV1 Q8NER1 11/20 0.54
FAAH O00519 2/20 0.51
NAMPT P43490 1/20 0.46

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
SCHEMBL8315964 0.89 HDAC6 (0.65) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL8252701 0.88 HDAC6 (1.00) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL8315949 0.85 HDAC6 (0.61) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL8324393 0.83 HDAC6 (0.59) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL28476139 0.81 HDAC6 (0.82) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL8320157 0.80 HDAC6 (0.74) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL29608419 0.80 HDAC6 (0.84) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL28479486 0.80 HDAC6 (0.84) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL28470427 0.80 HDAC6 (0.84) HDAC6HDAC1GPX4TAAR1TRPV1
SCHEMBL13627286 0.80 HDAC6 (0.76) HDAC6HDAC1GPX4TAAR1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235012-A1 Carboline and betacarboline derivatives for use as hdac enzyme inhibitors CHROMA THERAPEUTICS LIMITED (GB) 2006-10-19 US disclosed
EP-1633751-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2006-03-15 EP disclosed
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 WO disclosed
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 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-20060235012-A1 Carboline and betacarboline derivatives for use as hdac enzyme inhibitors HDAC1, HDAC7, HDAC2 HDAC6 11/4885HDAC1 1/4885GPX4 965/4885

“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.