SCHEMBL22748145

SCHEMBL22748145

Nc1cc(C(F)(F)F)ccc1OCc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
MRGPRX4 Q96LA9 6/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IDO1 P14902 2/20 0.42
AR P10275 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL6080280 0.80 MRGPRX4 (0.57) MAPTL3MBTL1LMNAATMMRGPRX4
SCHEMBL29486044 0.78 CYP1A2 (0.47) MAPTLMNAMRGPRX4ALDH1A1RAB9A
SCHEMBL22748806 0.78 CYP1A2 (0.47) MAPTLMNAMRGPRX4ALDH1A1RAB9A
SCHEMBL22748948 0.78 MASP2 (0.51) PLK1MAPTLMNAATMALDH1A1
SCHEMBL29485930 0.78 MASP2 (0.51) PLK1MAPTLMNAATMALDH1A1
SCHEMBL22748931 0.77 MAPT (0.48) PLK1MAPTMRGPRX4ALDH1A1RAB9A
SCHEMBL30029803 0.77 MAPT (0.48) PLK1MAPTMRGPRX4ALDH1A1RAB9A
SCHEMBL4810956 0.77 ALDH1A1 (0.57) MAPTLMNAALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL7476448 0.76 IDO1 (0.56) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL11412124 0.75 MAPT (0.44) PLK1MAPTL3MBTL1LMNAMRGPRX4

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
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof IFOM —FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2025-09-02 US disclosed
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 EP disclosed
US-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2022-10-27 US disclosed
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 EP disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 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-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF NEDD4, ITCH, UBE3A PLK1 341/4885MAPT 365/4885L3MBTL1 1165/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A PLK1 341/4885MAPT 365/4885L3MBTL1 1165/4885

“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.