SCHEMBL20116173

SCHEMBL20116173

O=C(N1CC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)C1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
SCD5 Q86SK9 1/20 0.36
PIK3CD O00329 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
TBK1 Q9UHD2 3/20 0.34
FLT3 P36888 1/20 0.34
IKBKE Q14164 1/20 0.34
KIT P10721 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR1 P21453 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL20116980 0.87 USP30 (0.40) USP30SCD5PIK3CDLMNAIDO1
SCHEMBL20116320 0.86 USP30 (0.45) USP30SCD5TBK1IKBKEKDM4E
SCHEMBL20676660 0.83 USP7 (0.41) USP30PIK3CDLMNAKMT2ATBK1
SCHEMBL20116396 0.82 TBK1 (0.46) USP30TBK1IKBKEALDH1A1HSD11B1
SCHEMBL20676311 0.81 TBK1 (0.45) USP30PIK3CDLMNAKMT2ATBK1
SCHEMBL20676596 0.81 USP30 (0.37) USP30NR1H4PIK3CDLMNAKMT2A
SCHEMBL22358285 0.81 KIT (0.35) USP30NR1H4SCD5PIK3CDIDO1
SCHEMBL20116172 0.80 USP7 (0.38) USP30NR1H4PIK3CDLMNAKMT2A
SCHEMBL20116089 0.80 SMO (0.42) USP30PIK3CDLMNAKMT2ATBK1
SCHEMBL20116522 0.79 USP7 (0.41) USP30PIK3CDLMNAKMT2ATBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 USP30 3526/4885NR1H4 1341/4885SCD5 1575/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 USP30 3526/4885NR1H4 1341/4885SCD5 1575/4885

“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.