SCHEMBL539059

SCHEMBL539059

O=C(NCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.84
NR1H4 Q96RI1 2/20 0.84
HDAC6 Q9UBN7 3/20 0.81
HDAC2 Q92769 2/20 0.81
HDAC8 Q9BY41 2/20 0.81
HDAC1 Q13547 2/20 0.81
HDAC3 O15379 1/20 0.81
HDAC4 P56524 1/20 0.81
HDAC7 Q8WUI4 1/20 0.81
HDAC10 Q969S8 1/20 0.81
HDAC11 Q96DB2 1/20 0.81
HDAC9 Q9UKV0 1/20 0.81
HDAC5 Q9UQL6 1/20 0.81
EGFR P00533 2/20 0.79
ROCK2 O75116 1/20 0.79
RPS6KA5 O75582 1/20 0.79
MAP4K4 O95819 1/20 0.79
PRKCG P05129 1/20 0.79
PRKACA P17612 1/20 0.79
RPS6KB1 P23443 1/20 0.79

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
SCHEMBL11900090 0.92 HDAC6 (0.85) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL3025457 0.91 HDAC6 (0.91) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL6386658 0.90 HDAC6 (1.00) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL1912347 0.89 HDAC6 (0.80) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL1926318 0.89 EPHX2 (0.77) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL539269 0.89 MMP13 (1.00) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL4981515 0.89 EPHX2 (0.77) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL1927145 0.89 EPHX2 (0.77) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL3812691 0.89 ROCK2 (1.00) EPHX2NR1H4HDAC6HDAC2HDAC8
SCHEMBL457082 0.88 HDAC6 (0.79) EPHX2NR1H4HDAC6HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463451-B2 Ligand, metal complex containing ligand, and reaction using metal complex containing ligand NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-10-11 US disclosed
US-9463451-B2 Ligand, metal complex containing ligand, and reaction using metal complex containing ligand NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-10-11 US disclosed
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-04-21 US disclosed
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-04-21 US disclosed
WO-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
WO-2012102247-A1 RUTHENIUM COMPLEX-CONTAINING CATALYST FOR HYDROGEN TRANSFER REACTION AND METHOD FOR PRODUCING HYDROGEN TRANSFER REACTION PRODUCT 国立大学法人名古屋大学 (JP) 2012-08-02 WO disclosed
EP-1836169-B9 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS LLC (US) 2012-07-04 EP disclosed
EP-1836169-B1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS LLC (US) 2012-02-08 EP 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-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND HRH3, HRH2, HRH4 EPHX2 1652/4885NR1H4 371/4885HDAC6 3672/4885

“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.