SCHEMBL3080095

SCHEMBL3080095

[O]Cc1nccc(C(F)(F)F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.36
PREP P48147 4/20 0.34
KMO O15229 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
NOTUM Q6P988 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
IDO1 P14902 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31

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
SCHEMBL19583845 0.83 P2RX7 (0.34) P2RX7PREPKMOSMARCA2SMARCA4
Hydrochloric Acid SCHEMBL19583921 0.81 P2RX7 (0.33) P2RX7PREPKMONOTUMIDO1
SCHEMBL21120953 0.81 P2RX7 (0.35) P2RX7PREPAKR1C3AKR1C2
SCHEMBL6079941 0.81 LOXL2 (0.41) P2RX7PREPNOTUMIDO1
SCHEMBL3100708 0.75 NOS3 (0.35) P2RX7KMOSMARCA2SMARCA4NOTUM
SCHEMBL3080097 0.74 NOTUM (0.40) P2RX7KMOSMARCA2SMARCA4NOTUM
SCHEMBL364870 0.74 P2RX7 (0.36) P2RX7KMONOTUMSLC40A1
SCHEMBL2305519 0.73 EPHX2 (0.44)
SCHEMBL6805218 0.72 AAK1 (0.38) P2RX7KMONOTUM
SCHEMBL22056622 0.71 P2RX7 (0.38) P2RX7NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987024-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-10-19 EP disclosed
US-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 US disclosed
EP-1987024-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-11-05 EP disclosed
WO-2007093827-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-08-23 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 P2RX7 4792/4885PREP 1849/4885KMO 398/4885

“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.