SCHEMBL2226604

SCHEMBL2226604

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 6/20 0.62
KDM4E B2RXH2 2/20 0.60
HDAC4 P56524 6/20 0.59
HDAC6 Q9UBN7 3/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC2 Q92769 1/20 0.55
RECQL P46063 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MGLL Q99685 1/20 0.50

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
SCHEMBL2223478 0.90 HDAC4 (0.58) SLC6A7KDM4EHDAC4HDAC6HDAC8
SCHEMBL2223611 0.89 HDAC4 (0.59) SLC6A7KDM4EHDAC4HDAC6HDAC8
SCHEMBL2228781 0.88 HSD11B1 (0.63) SLC6A7HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227381 0.87 HDAC4 (0.67) KDM4EHDAC4HDAC6HDAC8HDAC2
SCHEMBL2228753 0.87 HDAC4 (0.56) SLC6A7HDAC4HDAC6HDAC8HDAC2
SCHEMBL2225868 0.85 SLC6A7 (0.55) SLC6A7HDAC4HDAC6HDAC8HDAC2
SCHEMBL2226069 0.84 KDM4E (0.55) KDM4EHDAC4HDAC6HDAC8HDAC2
SCHEMBL2225388 0.84 HDAC4 (0.63) HDAC4HDAC6HDAC8HDAC2ALDH1A1
SCHEMBL13838156 0.84 SLC6A7 (0.66) SLC6A7KDM4ERECQLALDH1A1HPGD
SCHEMBL2228116 0.84 HDAC4 (0.60) HDAC4HDAC6HDAC8HDAC2ALDH1A1

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 SLC6A7 2515/4885KDM4E 2352/4885HDAC4 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.