SCHEMBL2223952

SCHEMBL2223952

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
HDAC4 P56524 8/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC2 Q92769 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GALR3 O60755 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2225493 0.88 STAT3 (0.60) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227588 0.88 MEN1 (0.60) STAT3L3MBTL1HDAC4HDAC6HDAC8
SCHEMBL2227977 0.87 STAT3 (0.60) STAT3L3MBTL1HDAC4HDAC6HDAC8
SCHEMBL2227739 0.83 KMT2A (0.61) STAT3L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL2225296 0.80 HDAC4 (0.64) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2224878 0.79 HDAC4 (0.56) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2226536 0.78 HDAC4 (0.61) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2224690 0.78 ALDH1A1 (0.56) STAT3L3MBTL1HDAC4HDAC6HDAC8
SCHEMBL2225128 0.77 STAT3 (0.50) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2225125 0.77 HDAC4 (0.62) STAT3HDAC4HDAC6HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 STAT3 4738/4885L3MBTL1 1054/4885HDAC4 2773/4885

“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.