SCHEMBL2227739

SCHEMBL2227739

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
STAT3 P40763 1/20 0.54
POLB P06746 1/20 0.53
ACACB O00763 1/20 0.52
FABP1 P07148 1/20 0.52
FABP6 P51161 1/20 0.52
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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 0.87 STAT3 (0.60) KMT2ASTAT3
SCHEMBL2227588 0.86 MEN1 (0.60) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL2227977 0.85 STAT3 (0.60) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL2223952 0.83 STAT3 (0.56) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL2225296 0.80 HDAC4 (0.64) STAT3
SCHEMBL2224878 0.79 HDAC4 (0.56) KMT2AMEN1LMNASTAT3SMN1; SMN2
SCHEMBL2224690 0.79 ALDH1A1 (0.56) KMT2AMEN1TDP1KDM4ELMNA
SCHEMBL2226536 0.78 HDAC4 (0.61) LMNASTAT3POLB
SCHEMBL2225128 0.77 STAT3 (0.50) STAT3
SCHEMBL2225125 0.77 HDAC4 (0.62) LMNASTAT3

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 11 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
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
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 KMT2A 2762/4885MEN1 892/4885TDP1 2168/4885

“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.