SCHEMBL519132

SCHEMBL519132

NC(=O)c1ccc(C2CCOCC2)cc1C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.41
▸ HDAC6 Q9UBN7 5/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ SYK P43405 3/20 0.39
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ HDAC3 O15379 4/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ STAT3 P40763 2/20 0.37
▸ ACMSD Q8TDX5 2/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35

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
SCHEMBL4769042 0.75 KDM1A (0.47) KDM1A
SCHEMBL15147767 0.72 MAOA (0.41) HDAC6HDAC1CYP11B1CYP11B2MAPK1
SCHEMBL15147931 0.72 OPRL1 (0.37) HDAC6HDAC1CYP11B1CYP11B2MAPK1
SCHEMBL518635 0.70 HDAC1 (0.40) HDAC6HDAC8HDAC1CYP11B1CYP11B2
SCHEMBL24605452 0.69 ACMSD (0.69) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL19013936 0.68 HDAC8 (0.57) SERPINE1HDAC6HDAC8HDAC1HDAC3
SCHEMBL15147809 0.68 P2RX7 (0.39) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL15147910 0.68 HDAC1 (0.37) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL32669061 0.67 MAPT (0.60) SERPINE1HDAC6HDAC8HDAC1MAPK1
SCHEMBL22820454 0.67 KDM4E (0.49) CYP11B1CYP11B2MAPK1SYK

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-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 — — US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 — — US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 — — US disclosed
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — 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 (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-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof HIF1AN, VHL, HIF1A SERPINE1 684/4885HDAC6 1162/4885HDAC8 632/4885
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL SERPINE1 1098/4885HDAC6 1868/4885HDAC8 522/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL SERPINE1 1048/4885HDAC6 1331/4885HDAC8 258/4885
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof HIF1AN, VHL, HIF1A SERPINE1 762/4885HDAC6 1324/4885HDAC8 588/4885

“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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