SCHEMBL29928128

SCHEMBL29928128

OCc1cc(OCc2ccccc2)nc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.40
CNR1 P21554 6/20 0.40
PLAU P00749 1/20 0.39
GRM5 P41594 2/20 0.39
NUDT1 P36639 1/20 0.39
MCL1 Q07820 2/20 0.38
RHEB Q15382 1/20 0.38
BACE1 P56817 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
PTGER1 P34995 1/20 0.37
BCL2L1 Q07817 1/20 0.37
LTB4R Q15722 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
SCHEMBL21551364 1.00 SQOR (0.40) SQORCNR1PLAUGRM5NUDT1
SCHEMBL30931890 0.91 GRM5 (0.40) SQORCNR1PLAUGRM5NUDT1
SCHEMBL21551396 0.91 GRM5 (0.40) SQORCNR1PLAUGRM5NUDT1
SCHEMBL23375774 0.86 NUDT1 (0.40) SQORCNR1PLAUGRM5NUDT1
SCHEMBL29928851 0.81 BCL2L1 (0.38) GRM5NUDT1MCL1BCL2L1LTB4R
SCHEMBL21551160 0.81 BCL2L1 (0.38) GRM5NUDT1MCL1BCL2L1LTB4R
SCHEMBL28542186 0.80 MCL1 (0.38) SQORCNR1GRM5NUDT1MCL1
SCHEMBL21551106 0.78 LMNA (0.52) CNR1MCL1MRGPRX4BCL2L1LTB4R
SCHEMBL30931797 0.78 LMNA (0.52) CNR1MCL1MRGPRX4BCL2L1LTB4R
SCHEMBL28547582 0.78 MCL1 (0.40) NUDT1MCL1BACE1MRGPRX4BCL2L1

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
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2023-01-12 US disclosed
EP-4058021-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP Asset V, Inc. (US) 2022-09-21 EP 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 (1 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-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES FURIN, LGMN, PLAU SQOR 1378/4885CNR1 4664/4885PLAU 3/4885

“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.