SCHEMBL12132182

SCHEMBL12132182

O=C(NO)c1cnc2ccc(Oc3ccncc3)cc2c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.50
MMP9 P14780 7/20 0.50
MMP13 P45452 7/20 0.50
ADAM17 P78536 2/20 0.50
KDR P35968 5/20 0.40
BRAF P15056 3/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAF1 P04049 2/20 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
SCHEMBL12132181 0.82 KDR (0.51) KDRBRAF
SCHEMBL1352582 0.72 KDR (0.46) MMP1MMP9MMP13ADAM17KDR
SCHEMBL1353035 0.72 CSF1R (0.46)
SCHEMBL12132186 0.68 MELK (0.42) MMP1MMP9MMP13KDM4E
SCHEMBL7004353 0.68 MMP13 (0.78) MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL7007676 0.67 MMP13 (0.77) MMP1MMP9MMP13ADAM17
SCHEMBL2599833 0.67 TERT (0.40)
SCHEMBL2599628 0.67 PDE4B (0.49) MMP1MMP9MMP13ADAM17BRAF
SCHEMBL15184747 0.63 NUDT1 (0.51)
SCHEMBL15184757 0.63 TACR1 (0.42) KDM4E

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-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 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 (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-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP1 179/4885MMP9 599/4885MMP13 405/4885

“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.