SCHEMBL2227588

SCHEMBL2227588

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
STAT3 P40763 3/20 0.59
HDAC4 P56524 7/20 0.58
SIGMAR1 Q99720 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
HDAC6 Q9UBN7 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC2 Q92769 1/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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 0.92 STAT3 (0.60) KMT2ASTAT3HDAC4HDAC6HDAC8
SCHEMBL2227977 0.92 STAT3 (0.60) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL2224878 0.90 HDAC4 (0.56) MEN1LMNAKMT2ASMN1; SMN2STAT3
SCHEMBL2223952 0.88 STAT3 (0.56) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL2227739 0.86 KMT2A (0.61) MEN1LMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL2225296 0.85 HDAC4 (0.64) STAT3HDAC4HDAC3HDAC7HDAC5
SCHEMBL2224690 0.85 ALDH1A1 (0.56) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL2226536 0.83 HDAC4 (0.61) LMNASTAT3HDAC4HDAC3HDAC7
SCHEMBL2225128 0.82 STAT3 (0.50) STAT3HDAC4HDAC6HDAC8HDAC2
SCHEMBL2228116 0.82 HDAC4 (0.60) MEN1MAPK1KMT2ASMN1; SMN2STAT3

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 MEN1 892/4885LMNA 222/4885TSHR 1705/4885

“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.