Sugi Predict

Sugi Predict / Compounds / SCHEMBL2225440

SCHEMBL2225440

SCHEMBL2225440

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2cncnc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 10/20 0.63
▸ HDAC6 Q9UBN7 6/20 0.53
▸ HDAC8 Q9BY41 4/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ MGLL Q99685 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL2225388 0.90 HDAC4 (0.63) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2227381 0.89 HDAC4 (0.67) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2224997 0.86 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2227129 0.86 HDAC4 (0.71) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL13838148 0.85 RHOA (0.49) HDAC4MGLLSMN1; SMN2MAPK1LMNA
SCHEMBL2227592 0.85 HDAC4 (0.61) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2227590 0.85 HDAC4 (0.61) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2226604 0.84 SLC6A7 (0.62) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2225868 0.84 SLC6A7 (0.55) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2227789 0.84 HDAC4 (0.62) HDAC4HDAC6HDAC8HDAC2MGLL

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 HDAC4 2773/4885HDAC6 1763/4885HDAC8 2959/4885

“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.