SCHEMBL2228048

SCHEMBL2228048

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCC(c2nc(-c3ccc(F)cc3)cs2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
CLPP Q16740 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
HDAC4 P56524 4/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
HSD11B1 P28845 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL13838130 0.89 RAB9A (0.55) GRM5CLPPRAB9AL3MBTL1PKM
SCHEMBL2225290 0.81 GRM5 (0.54) GRM5CLPPRAB9AL3MBTL1PKM
SCHEMBL2357854 0.81 HDAC4 (0.48) GRM5HDAC4HDAC6HDAC8HDAC7
SCHEMBL2227118 0.80 HDAC4 (0.56) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2226068 0.74 HDAC4 (0.65) RAB9AL3MBTL1HDAC4HDAC6HDAC8
SCHEMBL2224640 0.74 TRPV1 (0.55) GRM5CLPPRAB9AL3MBTL1PKM
SCHEMBL2225128 0.74 STAT3 (0.50) HDAC4HDAC6HDAC8
SCHEMBL193906 0.72 RAB9A (0.87) GRM5CLPPRAB9AL3MBTL1PKM
SCHEMBL194170 0.71 L3MBTL1 (0.83) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL21825077 0.71 HDAC4 (0.58) GRM5CLPPL3MBTL1HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US claimed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US claimed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B GRM5 3203/4885CLPP 3511/4885RAB9A 977/4885

“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.