SCHEMBL6720496

SCHEMBL6720496

O=C(Nc1ccccc1C(=O)C(F)(F)F)c1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
DHPS P49366 1/20 0.54
F10 P00742 1/20 0.54
TMIGD3 P0DMS9 4/20 0.51
ADORA1 P30542 4/20 0.51
STAT1 P42224 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 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
SCHEMBL8367813 0.95 HDAC2 (0.50) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL21446806 0.83 HDAC1 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL21446755 0.81 TSHR (0.60) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL2843748 0.79 BCL2L1 (0.62) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL12663172 0.77 HDAC2 (0.70) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL28885145 0.75 HDAC1 (0.68) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL8162705 0.74 HDAC1 (0.56) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL1853197 0.73 HDAC1 (0.70) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15228071 0.72 DHPS (0.58) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL29874896 0.72 HDAC1 (1.00) HDAC2HDAC1HDAC3HDAC4HDAC7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 US claimed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 US claimed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 EP claimed
EP-0888322-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-01-07 EP claimed
WO-1997034566-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1997-09-25 WO claimed
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 US disclosed
US-6673788-B2 CONTAINING 2,2,2-TRIFLUORO-1-OXOETHYL GROUPS G. D. SEARLE & CO. 2004-01-06 US disclosed
US-6673784-B1 HALOSUBSTITUTED ACETOPHENONES AS SELECTIVE HERPESVIRUS PROTEASE INHIBITORS G. D. SEARLE & CO. 2004-01-06 US disclosed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 US disclosed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-0888322-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-01-07 EP disclosed
WO-1997034566-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1997-09-25 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 (2 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-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK HDAC2 335/4885HDAC1 903/4885HDAC3 601/4885
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK HDAC2 335/4885HDAC1 903/4885HDAC3 601/4885

“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.