SCHEMBL2115382

SCHEMBL2115382

CC(C)(C)N(C(=O)O)c1cccc(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PAX8 Q06710 2/20 0.40
JAK2 O60674 1/20 0.40
AKT1 P31749 1/20 0.39
RIPK1 Q13546 3/20 0.39
TSPO P30536 1/20 0.38
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL2120249 0.86 PDK1 (0.43) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL18262241 0.84 CRHBP (0.40) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL666092 0.84 LOXL2 (0.43) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL1026817 0.83 CYP4F2 (0.44) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL16107553 0.81 ENPP2 (0.42) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL19859079 0.80 CES2 (0.42) KMT2AL3MBTL1MEN1HTTALDH1A1
SCHEMBL25327863 0.80 CRHBP (0.37) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL1953145 0.80 KMT2A (0.40) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL1026191 0.80 MAOA (0.50) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL4515187 0.79 CRHBP (0.50) CRHBPCRHR2KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 CRHBP 3447/4885CRHR2 1183/4885KMT2A 35/4885

“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.