SCHEMBL12474926

SCHEMBL12474926

CS(=O)(=O)Nc1ccccc1CCC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR3C1 P04150 1/20 0.42

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
SCHEMBL1405235 0.83 ALDH1A1 (0.50) KMT2AGAAALDH1A1KDM4ERCE1
SCHEMBL3559564 0.78 KMT2A (0.55) KMT2AALDH1A1KDM4ERCE1SMN1; SMN2
Benzene SCHEMBL3555900 0.78 KMT2A (0.55) KMT2AALDH1A1KDM4ERCE1SMN1; SMN2
Benzene SCHEMBL3558153 0.77 SLC16A3 (0.63) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL3558898 0.77 SLC16A3 (0.63) KMT2AALDH1A1KDM4EHPGDL3MBTL1
Benzene SCHEMBL3561698 0.77 SLC16A3 (0.68) KMT2ANR3C1RAB9A
SCHEMBL3552271 0.77 SLC16A3 (0.68) KMT2ANR3C1RAB9A
SCHEMBL8504969 0.77 ALDH1A1 (0.45) KMT2AALDH1A1KDM4ERCE1SMN1; SMN2
SCHEMBL7888388 0.76 PTGS2 (0.54) KMT2AGAAALDH1A1KDM4ERCE1
SCHEMBL3715386 0.76 PLA2G7 (0.54) KMT2AGAAALDH1A1KDM4ERCE1

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-9018394-B2 Method for producing aromatic compound having ring structure that includes nitrogen atom or oxygen atom NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-28 — — US disclosed
US-9018394-B2 Method for producing aromatic compound having ring structure that includes nitrogen atom or oxygen atom NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-28 — — US disclosed
US-9018394-B2 Method for producing aromatic compound having ring structure that includes nitrogen atom or oxygen atom NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-28 — — US disclosed
US-20130338371-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING RING STRUCTURE THAT INCLUDES NITROGEN ATOM OR OXYGEN ATOM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-12-19 — — US disclosed
WO-2012111449-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING RING STRUCTURE THAT INCLUDES NITROGEN ATOM OR OXYGEN ATOM 国立大学法人名古屋大学 (JP) 2012-08-23 — — 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-20130338371-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING RING STRUCTURE THAT INCLUDES NITROGEN ATOM OR OXYGEN ATOM TH, AOC3, NOX3 KMT2A 2636/4885CA12 1903/4885CA1 615/4885

“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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