SCHEMBL17750046

SCHEMBL17750046

O=C1CCNC(=O)c2cc(Cl)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.67
PARP1 P09874 4/20 0.67
F7 P08709 1/20 0.67
F3 P13726 1/20 0.67
PPOX P50336 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP11 Q9NR21 5/20 0.51
GRM5 P41594 1/20 0.48
MAP2K1 Q02750 2/20 0.47
VHL P40337 1/20 0.45
ELOC Q15369 1/20 0.45
ELOB Q15370 1/20 0.45
MAPT P10636 1/20 0.45
S100A4 P26447 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK1 P28482 1/20 0.44
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1315035 0.80 PARP10 (0.74) PARP10PARP1F7F3PARP11
SCHEMBL6977492 0.80 MEN1 (0.58) PARP10PARP1F7F3PPOX
SCHEMBL793493 0.80 PARP10 (1.00) PARP10PARP1F7F3PPOX
SCHEMBL6256563 0.80 MEN1 (0.54) PARP10PARP1F7F3PPOX
SCHEMBL29676942 0.80 PARP10 (1.00) PARP10PARP1F7F3PPOX
SCHEMBL3296103 0.75 PARP11 (0.64) PARP10PARP1MEN1KMT2APARP11
SCHEMBL22451527 0.75 RYR2 (0.56) PARP10PARP1MEN1KMT2APARP11
SCHEMBL31743097 0.74 PARP10 (0.81) PARP10PARP1F7F3PPOX
SCHEMBL19838574 0.74 PARP10 (0.81) PARP10PARP1F7F3PPOX
SCHEMBL23160447 0.74 PARP10 (0.60) PARP10PARP1F7F3PPOX

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-3218381-B1 SPIRO-THIAZOLONES HOFFMANN LA ROCHE (CH) 2019-01-23 EP disclosed
US-10092551-B2 Spiro-thiazolones HOFFMANN-LAROCHE INC. (US) 2018-10-09 US disclosed
EP-3218381-A1 SPIRO-THIAZOLONES F. Hoffmann-La Roche AG (CH) 2017-09-20 EP disclosed
US-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 US disclosed
WO-2016075181-A1 SPIRO-THIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2016-05-19 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-10092551-B2 Spiro-thiazolones AVPR1A, AVPR2, AVPR1B PARP10 3503/4885PARP1 3832/4885F7 3301/4885
US-20170246153-A1 SPIRO-THIAZOLONES AVPR1A, AVPR2, AVPR1B PARP10 3503/4885PARP1 3832/4885F7 3301/4885

“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.