SCHEMBL26986908

SCHEMBL26986908

Clc1cc(Br)cc(OCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RHEB Q15382 1/20 0.45
MAOB P27338 6/20 0.43
MAOA P21397 5/20 0.43
FFAR1 O14842 1/20 0.43
LTA4H P09960 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2B P41595 2/20 0.40
HTR6 P50406 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL347904 0.83 MAOB (0.62) RAB9AMAOBMAOAALOX5
SCHEMBL23327746 0.78 MAOB (0.69) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL29795224 0.78 MAOB (0.69) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL16801286 0.77 NPC1 (0.47) NPC1RAB9AMAOBMAOAFFAR1
Bromide SCHEMBL28842080 0.77 MAOB (0.67) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL1064716 0.75 NPC1 (0.67) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL20361216 0.75 NPC1 (0.67) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL25236433 0.74 MAOB (0.54) RAB9AMAOBMAOAFFAR1GPR84
SCHEMBL16493110 0.74 MAPT (0.43) CA12CA1CA9
SCHEMBL17265952 0.74 MAPT (0.43)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312345-A1 NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE UNIV YALE (US) 2025-10-09 US disclosed
US-20240092759-A1 Non-Covalent Inhibitors of the Main Protease of SARS-CoV-2 and Methods of Use UNIV YALE (US) 2024-03-21 US disclosed
WO-2024010585-A1 NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE YALE UNIVERSITY (US) 2024-01-11 WO disclosed
WO-2022150584-A1 NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE YALE UNIVERSITY (US) 2022-07-14 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-20250312345-A1 NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE ACE2, ACE, TMPRSS2 NPC1 1455/4885RAB9A 3040/4885RHEB 3241/4885
US-20240092759-A1 Non-Covalent Inhibitors of the Main Protease of SARS-CoV-2 and Methods of Use ACE2, ACE, TMPRSS2 NPC1 1051/4885RAB9A 2785/4885RHEB 3353/4885

“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.