SCHEMBL430159

SCHEMBL430159

O=C(NCc1ccccc1)c1cc(F)cc(B(O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TRPV1 Q8NER1 2/20 0.56
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGDS O60760 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CXCR4 P61073 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28328415 0.87 ALDH1A1 (0.64) ALDH1A1HDAC2HDAC8HDAC6TSHR
SCHEMBL17339263 0.84 TRPV1 (0.59) ALDH1A1TRPV1TSHRMEN1KMT2A
SCHEMBL177584 0.81 HDAC6 (0.66) ALDH1A1TRPV1HDAC2HDAC8HDAC6
SCHEMBL29710273 0.81 HDAC6 (0.66) ALDH1A1TRPV1HDAC2HDAC8HDAC6
SCHEMBL29563900 0.80 TRPV1 (0.42) ALDH1A1TRPV1HDAC2HDAC8HDAC6
SCHEMBL29091093 0.80 TRPV1 (0.42) ALDH1A1TRPV1HDAC2HDAC8HDAC6
SCHEMBL29563183 0.80 ALDH1A1 (0.42) ALDH1A1TRPV1HDAC2HDAC8HDAC6
SCHEMBL24459603 0.80 ALDH1A1 (0.42) ALDH1A1TRPV1TSHRSMN1; SMN2MEN1
SCHEMBL31148307 0.80 KDM4E (0.42) ALDH1A1SMN1; SMN2HPGD
SCHEMBL29125352 0.80 KDM4E (0.42) ALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH1A1 3295/4885TRPV1 4458/4885HDAC2 621/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH1A1 3295/4885TRPV1 4458/4885HDAC2 621/4885

“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.