SCHEMBL20050720

SCHEMBL20050720

CCCOc1cc(N)ccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
ATM Q13315 1/20 0.61
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
TLR8 Q9NR97 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL1641040 0.85 MAPT (0.59) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL1579457 0.84 SLC6A4 (0.49) GAAKDM4EMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL109341 0.83 MAPT (0.62) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL22589647 0.82 SLC6A4 (0.42) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL527228 0.81 MAPT (0.40) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL30433987 0.81 GAA (0.70) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL6944870 0.81 GAA (0.70) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL5446140 0.81 GAA (0.65) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL30530347 0.81 GAA (0.65) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL26667665 0.81 HPGD (0.54) GAAKDM4EMAPTALDH1A1HTT

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-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
EP-3523291-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 Mission Therapeutics Limited (GB) 2019-08-14 EP disclosed
WO-2018065768-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-12 WO disclosed
WO-2018065768-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-12 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-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 GAA 1581/4885KDM4E 1153/4885MAPT 3724/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 GAA 1581/4885KDM4E 1153/4885MAPT 3724/4885

“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.