SCHEMBL346844

SCHEMBL346844

O=C(NO)C1CCc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.54
NTRK1 P04629 1/20 0.54
MET P08581 1/20 0.54
TEK Q02763 1/20 0.54
NTRK3 Q16288 1/20 0.54
NTRK2 Q16620 1/20 0.54
BRAF P15056 14/20 0.51
RAF1 P04049 4/20 0.51

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
SCHEMBL345614 0.90 KDR (0.51) KDRNTRK1METTEKNTRK3
SCHEMBL345458 0.85 BRAF (0.64) KDRBRAFRAF1
SCHEMBL10197660 0.85 BRAF (0.59) KDRBRAFRAF1
SCHEMBL461378 0.85 BRAF (0.64) KDRBRAFRAF1
SCHEMBL437058 0.83 BRAF (0.51) KDRBRAFRAF1
SCHEMBL10197675 0.82 KDR (0.48) KDRNTRK1METTEKNTRK3
SCHEMBL545990 0.81 BRAF (0.81) KDRBRAFRAF1
SCHEMBL20040899 0.77 KDR (0.66) KDRBRAF
SCHEMBL30965184 0.77 KDR (0.61) KDRNTRK1METTEKNTRK3
SCHEMBL14976311 0.77 KDR (0.61) KDRNTRK1METTEKNTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDR 710/4885NTRK1 2872/4885MET 1730/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDR 2753/4885NTRK1 3843/4885MET 2984/4885

“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.