SCHEMBL22748948

SCHEMBL22748948

O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.51
F2 P00734 1/20 0.51
ATM Q13315 1/20 0.47
PTGES O14684 1/20 0.47
MAPT P10636 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PLK1 P53350 2/20 0.43
POLB P06746 2/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29485930 1.00 MASP2 (0.51) MASP2F2ATMPTGESMAPT
SCHEMBL29485992 0.81 LMNA (0.56) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22748314 0.81 LMNA (0.56) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7982492 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL22748145 0.78 PLK1 (0.47) ATMMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3451299 0.77 MASP2 (0.51) MASP2F2MAPTNPC1RAB9A
SCHEMBL10665310 0.76 CYP1A2 (0.60) MASP2F2MAPTNPC1RAB9A
SCHEMBL22748931 0.75 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30029803 0.75 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8067143 0.75 MAPT (0.57) MASP2F2MAPTNPC1RAB9A

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 MASP2 2112/4885F2 4877/4885ATM 3479/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A MASP2 2112/4885F2 4877/4885ATM 3479/4885

“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.