SCHEMBL18919655

SCHEMBL18919655

O=C(O)N1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 3/20 0.38
CXCR4 P61073 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
TEAD1 P28347 2/20 0.35

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
SCHEMBL18919654 1.00 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL28572066 0.85 USP30 (0.50) ALDH1A1MAPK1RAB9AL3MBTL1
SCHEMBL28572069 0.85 USP30 (0.50) ALDH1A1MAPK1RAB9AL3MBTL1
SCHEMBL17803369 0.84 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL18919702 0.84 ALDH1A1 (0.63) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL18919704 0.84 ALDH1A1 (0.63) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL21874640 0.82 GRM2 (0.40) KMT2ABCHEACHEBACE1GRM2
SCHEMBL21874641 0.82 GRM2 (0.40) KMT2ABCHEACHEBACE1GRM2
SCHEMBL29253804 0.81 HCAR3 (0.52) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL25337223 0.81 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2AMAPK1

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-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
CN-108290861-B 1-cyano-pyrrolidine derivatives as USP30 inhibitors 特殊治疗有限公司 2021-05-25 CN disclosed
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2020-08-20 US disclosed
EP-3383859-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-04-29 EP disclosed
EP-3383859-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. Mission Therapeutics Limited (GB) 2018-10-10 EP disclosed
WO-2017093718-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. MISSION THERAPEUTICS LIMITED (GB) 2017-06-08 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-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 USP30, USP1, USP20 KDM4E 508/4885ALDH1A1 787/4885MEN1 3103/4885
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 USP30, USP1, USP20 KDM4E 508/4885ALDH1A1 787/4885MEN1 3103/4885

“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.