SCHEMBL8252701

SCHEMBL8252701

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 1.00
HDAC1 Q13547 3/20 1.00
GPX4 P36969 1/20 0.65
TRPV1 Q8NER1 10/20 0.62
TAAR1 Q96RJ0 1/20 0.60
FAAH O00519 1/20 0.54
CDK4 P11802 1/20 0.51
CCND1 P24385 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
SCHEMBL28479486 0.91 HDAC6 (0.84) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL29608419 0.91 HDAC6 (0.84) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL28470427 0.91 HDAC6 (0.84) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL28476139 0.90 HDAC6 (0.82) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL5775992 0.88 HDAC6 (0.78) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL29609340 0.88 HDAC6 (0.78) HDAC6HDAC1GPX4TAAR1
SCHEMBL28614964 0.88 HDAC6 (0.78) HDAC6HDAC1GPX4TRPV1
SCHEMBL13627286 0.87 HDAC6 (0.76) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL18688569 0.87 HDAC6 (0.77) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL8320157 0.85 HDAC6 (0.74) HDAC6HDAC1GPX4TRPV1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (4 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC6 11/4885HDAC1 1/4885GPX4 1535/4885
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 HDAC6 22/4885HDAC1 1/4885GPX4 2696/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC6 557/4885HDAC1 5/4885GPX4 2437/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC6 1058/4885HDAC1 9/4885GPX4 2798/4885

“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.