SCHEMBL10197675

SCHEMBL10197675

O=C(NO)C1CCc2cccc(Oc3ccnc(NC(=O)C4CC4)c3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.48
BRAF P15056 12/20 0.48
NTRK1 P04629 1/20 0.47
MET P08581 1/20 0.47
TEK Q02763 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
RAF1 P04049 4/20 0.46
ABL1 P00519 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL10265860 0.90 KDR (0.46) KDRBRAFNTRK1METTEK
SCHEMBL345458 0.82 BRAF (0.64) KDRBRAFRAF1
SCHEMBL10197660 0.82 BRAF (0.59) KDRBRAFRAF1ABL1
SCHEMBL461378 0.82 BRAF (0.64) KDRBRAFRAF1
SCHEMBL437058 0.82 BRAF (0.51) KDRBRAFRAF1
SCHEMBL346844 0.82 KDR (0.54) KDRBRAFNTRK1METTEK
SCHEMBL346349 0.75 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL345995 0.72 BRAF (0.63) KDRBRAFRAF1ABL1
SCHEMBL345996 0.72 BRAF (0.63) KDRBRAFRAF1ABL1
SCHEMBL345614 0.71 KDR (0.51) KDRBRAFNTRK1METTEK

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 3 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-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 710/4885BRAF 3601/4885NTRK1 2872/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDR 2753/4885BRAF 4293/4885NTRK1 3843/4885

“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.