SCHEMBL566491

SCHEMBL566491

N=C(NO)c1ccc2c(c1)CN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 1/20 0.39
NAMPT P43490 3/20 0.39
TMPRSS2 O15393 1/20 0.37

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
SCHEMBL1075113 0.80 ALDH1A1 (0.53) HDAC6HDAC8NAMPT
SCHEMBL30090292 0.79 HDAC1 (0.59) HDAC6HDAC8HDAC1NAMPT
SCHEMBL24038582 0.79 HDAC1 (0.59) HDAC6HDAC8HDAC1NAMPT
SCHEMBL28956614 0.78 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC3NAMPT
SCHEMBL28205358 0.77 NAMPT (0.49) HDAC6HDAC8NAMPT
SCHEMBL1027717 0.76 NAMPT (0.54) HDAC6HDAC8NAMPT
SCHEMBL29168673 0.73 HDAC6 (0.56) HDAC6HDAC8HDAC1NAMPT
SCHEMBL1956852 0.73 ABHD6 (0.55) HDAC6HDAC8NAMPT
SCHEMBL4437450 0.73 ABHD6 (0.55) HDAC6HDAC8NAMPT
SCHEMBL2124902 0.73 ESR2 (0.65) HDAC6HDAC8HDAC1HDAC3NAMPT

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-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (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-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 HDAC6 1881/4885HDAC8 1793/4885HDAC1 802/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 HDAC6 2352/4885HDAC8 2145/4885HDAC1 1849/4885

“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.