SCHEMBL18615435

SCHEMBL18615435

NC(=O)c1cccc(OC[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.60
PARP15 Q460N3 6/20 0.60
PARP2 Q9UGN5 3/20 0.60
NR1H4 Q96RI1 3/20 0.54
OPRK1 P41145 5/20 0.52
KCNH2 Q12809 2/20 0.50
LRRK2 Q5S007 1/20 0.49
PARP1 P09874 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
TNKS O95271 1/20 0.47
PARP14 Q460N5 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
OPRM1 P35372 1/20 0.45

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
Hydrochloric Acid SCHEMBL20357199 0.99 PARP10 (0.58) PARP10PARP15PARP2NR1H4OPRK1
SCHEMBL201939 0.94 PARP10 (0.67) PARP10PARP15PARP2NR1H4OPRK1
SCHEMBL7439527 0.87 PARP10 (0.69) PARP10PARP15PARP2NR1H4OPRK1
SCHEMBL20357322 0.83 NR1H4 (0.55) PARP10PARP15PARP2NR1H4OPRK1
SCHEMBL2639568 0.82 NR1H4 (0.59) PARP10PARP15PARP2NR1H4OPRK1
SCHEMBL30281276 0.81 NR1H4 (0.76) PARP10PARP15PARP2NR1H4
SCHEMBL3060401 0.81 NR1H4 (0.76) PARP10PARP15PARP2NR1H4
SCHEMBL13749857 0.80 NR1H4 (0.56) PARP10PARP15PARP2NR1H4LRRK2
SCHEMBL2087923 0.80 NR1H4 (0.62) PARP10PARP15PARP2NR1H4
SCHEMBL19405726 0.80 PARP10 (0.71) PARP10PARP15PARP2LRRK2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 PARP10 3800/4885PARP15 3998/4885PARP2 4449/4885

“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.