SCHEMBL356031

SCHEMBL356031

COC(=O)c1ccc2c(c1)CCC(Oc1ccnc(NC(=O)C3(C)CCN(C(C)C)CC3)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.39
SYK P43405 2/20 0.36
FGFR1 P11362 3/20 0.35
ACACB O00763 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SLC9A3 P48764 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC5A7 Q9GZV3 1/20 0.34
RIOK2 Q9BVS4 1/20 0.33

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
SCHEMBL353174 0.93 SYK (0.42) HRH3SYKFGFR1ACACBSLC9A3
SCHEMBL353143 0.92 HDAC8 (0.39) HRH3SYKFGFR1ACACBKMT2A
SCHEMBL353421 0.89 FGFR1 (0.40) SYKFGFR1NOS3NOS1NOS2
SCHEMBL10247293 0.89 SYK (0.38) SYKSLC9A3KMT2A
SCHEMBL353385 0.87 SYK (0.34) SYKFGFR1SLC9A3
SCHEMBL354136 0.87 PKM (0.37) HRH3SYKNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL355233 0.86 SYK (0.34) SYKFGFR1SLC9A3
SCHEMBL353867 0.81 HDAC8 (0.39) SYK
SCHEMBL355960 0.81 FGFR1 (0.39) SYKFGFR1
SCHEMBL15981203 0.80 SYK (0.38) SYKSLC9A3

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HRH3 56/4885SYK 1676/4885FGFR1 60/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HRH3 32/4885SYK 2535/4885FGFR1 518/4885

“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.