SCHEMBL3080097

SCHEMBL3080097

[O]Cc1nccc(Cl)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRNB2 P17787 1/20 0.34
CYP2B6 P20813 1/20 0.34
MAOA P21397 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
P2RX7 Q99572 2/20 0.31
KMT2A Q03164 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL22035472 0.81 NOTUM (0.38) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL7933949 0.76 NOTUM (0.41) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL3080095 0.74 P2RX7 (0.36) NOTUMSMARCA2SMARCA4P2RX7MRGPRX4
SCHEMBL29427142 0.74 NOTUM (0.42) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL739829 0.74 NOTUM (0.42) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL20836150 0.72 NOTUM (0.42) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL31194141 0.72 NOTUM (0.42) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL17506246 0.71 NOTUM (0.39) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL3945531 0.71 NOTUM (0.39) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL6971788 0.71 NOTUM (0.39) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

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 NOTUM 2511/4885CYP1A2 2038/4885CYP2C9 2405/4885

“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.