SCHEMBL16636452

SCHEMBL16636452

CCNC(=O)c1nc(N)sc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.41
HDAC3 O15379 17/20 0.41
HDAC6 Q9UBN7 17/20 0.41
HDAC4 P56524 3/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
FBP1 P09467 1/20 0.36

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
SCHEMBL16636682 0.76 ALDH1A1 (0.45) HDAC1HDAC6HDAC4ALDH1A1CYP1A2
SCHEMBL16636602 0.75 ALDH1A1 (0.41) HDAC1HDAC6HDAC4ALDH1A1CYP1A2
SCHEMBL18508361 0.74 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC4
SCHEMBL16636990 0.73 ALDH1A1 (0.42) HDAC1HDAC6HDAC4ALDH1A1CYP1A2
SCHEMBL26684216 0.73 ALDH1A1 (0.48) ALDH1A1CYP1A2FBP1
SCHEMBL16636619 0.72 HDAC4 (0.43) HDAC1HDAC6HDAC4ALDH1A1CYP1A2
SCHEMBL29129336 0.70 ALDH1A1 (0.45) ALDH1A1CYP1A2FBP1
SCHEMBL3587397 0.67 ALDH1A1 (0.72) ALDH1A1CYP1A2
SCHEMBL29129368 0.65 ALDH1A1 (0.43) ALDH1A1CYP1A2
SCHEMBL5742872 0.64 NOS1 (0.48) ALDH1A1CYP1A2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (3 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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 HDAC1 982/4885HDAC3 389/4885HDAC6 160/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 HDAC1 982/4885HDAC3 389/4885HDAC6 160/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 HDAC1 982/4885HDAC3 389/4885HDAC6 160/4885

“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.