SCHEMBL3088683

SCHEMBL3088683

[CH2]Oc1ccc(-c2nnco2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.64
NOTUM Q6P988 8/20 0.58
TSHR P16473 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL17694561 0.83 NOTUM (0.78) TLR8NOTUMTSHRALDH1A1KDM4E
SCHEMBL2610163 0.81 NOTUM (0.75) TLR8NOTUMTSHRALDH1A1KDM4E
SCHEMBL4581181 0.81 NOTUM (0.65) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL28273399 0.79 NOTUM (0.63) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL1844743 0.79 TLR8 (0.62) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL19356867 0.78 NOTUM (0.64) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL6386042 0.77 TLR8 (0.73) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL27967176 0.77 TLR8 (0.58) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL27758236 0.77 TLR8 (0.58) TLR8NOTUMTSHRNPC1RAB9A
SCHEMBL29376264 0.77 TLR8 (0.58) TLR8NOTUMTSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TLR8 575/4885NOTUM 2511/4885TSHR 265/4885

“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.