SCHEMBL2223637

SCHEMBL2223637

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HDAC4 P56524 7/20 0.60
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
HDAC6 Q9UBN7 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC2 Q92769 1/20 0.53
USP2 O75604 1/20 0.52
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
MGLL Q99685 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.49

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
SCHEMBL2228116 0.90 HDAC4 (0.60) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2224982 0.88 HDAC4 (0.57) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2224348 0.87 HDAC4 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2229001 0.86 HDAC4 (0.52) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL13838152 0.86 SMN1; SMN2 (0.64) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2227129 0.84 HDAC4 (0.71) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2224997 0.84 HDAC4 (0.66) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2226604 0.84 SLC6A7 (0.62) ALDH1A1SMN1; SMN2HSD17B10HDAC4KDM4E
SCHEMBL2223611 0.83 HDAC4 (0.59) ALDH1A1MAPK1MEN1KMT2AHDAC4
SCHEMBL2227381 0.83 HDAC4 (0.67) ALDH1A1MAPK1SMN1; SMN2HDAC4KDM4E

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
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
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 ALDH1A1 1319/4885MAPK1 4174/4885SMN1; SMN2 2921/4885

“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.