SCHEMBL22748166

SCHEMBL22748166

O=CNc1ccccc1OCc1ccc(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
PPIA P62937 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
LMNA P02545 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL29485854 0.85 MAPT (0.49) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22748889 0.85 MAPT (0.49) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7981828 0.84 ALDH1A1 (0.52) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11436682 0.75 MEN1 (0.43) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4810509 0.75 APP (0.43) TSHRNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4811143 0.74 APP (0.42) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11432026 0.73 KDM4E (0.45) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4810503 0.73 ALDH1A1 (0.53) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL6973205 0.72 TSHR (0.50) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2444693 0.71 BRD4 (0.58) TSHRNPC1RAB9ASMN1; SMN2MAPT

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 TSHR 4652/4885NPC1 855/4885RAB9A 2236/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A TSHR 4652/4885NPC1 855/4885RAB9A 2236/4885

“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.