SCHEMBL2978737

SCHEMBL2978737

O=c1ccc2ccc(CBr)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA9 Q16790 5/20 0.62
CA1 P00915 4/20 0.62
CA4 P22748 4/20 0.62
CA5A P35218 4/20 0.62
CA7 P43166 4/20 0.62
CA14 Q9ULX7 4/20 0.62
CA5B Q9Y2D0 4/20 0.62
CA2 P00918 3/20 0.62
CA3 P07451 3/20 0.62
CYP19A1 P11511 3/20 0.58
MAOB P27338 3/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GLA P06280 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
AKR1B1 P15121 1/20 0.53
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL3663606 0.87 CA12 (0.69) CA12CA9CA1CA4CA5A
SCHEMBL27396152 0.85 CA12 (0.68) CA12CA9CA1CA4CA5A
SCHEMBL28085698 0.82 CA12 (0.64) CA12CA9CA1CA4CA5A
SCHEMBL13194963 0.81 MAOB (0.65) CA12CA9CA1CA4CA5A
SCHEMBL7545069 0.81 DRD4 (0.68) CA12CA9CA1CA4CA5A
SCHEMBL8750116 0.81 CA12 (0.62) CA12CA9CA1CA4CA5A
SCHEMBL295803 0.81 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL3326190 0.81 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL29603488 0.81 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL4013360 0.81 CA12 (0.62) CA12CA9CA1CA4CA5A

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176798-A Dihydropyrimidinone-coumarin derivative and preparation method thereof 宜春学院 2024-12-24 CN claimed
CN-119060024-B Aryl benzyl ether compound with affinity with monoamine oxidase B and application thereof BEIJING NORMAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119176798-A Dihydropyrimidinone-coumarin derivative and preparation method thereof 宜春学院 2024-12-24 CN disclosed
CN-119060024-A Aryl benzyl ether compound with affinity with monoamine oxidase B and application thereof 北京师范大学 2024-12-03 CN disclosed
CN-115894461-B Novel coumarin-containing azole derivative, and preparation method and application thereof 沈阳药科大学 2024-01-23 CN disclosed
CN-115894461-A Novel coumarin azole-containing derivative and preparation method and application thereof 沈阳药科大学 2023-04-04 CN disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 US disclosed
CN-112218878-A NTCP inhibitors 北京生命科学研究所 2021-01-12 CN disclosed
CN-104968375-B Photo-crosslinked hyaluronic acid derivative, and preparation method and application thereof 菲迪亚制药股份公司 2018-03-13 CN disclosed
WO-1996028438-A1 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSS-LINKING AGENTS NAXCOR (US) 1996-09-19 WO disclosed
EP-0466773-B1 COUMARIN DERIVATIVES FOR USE AS NUCLEOTIDE CROSSLINKING REAGENTS NAXCOR (US) 1996-06-12 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed
EP-0693065-A4 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSSLINKING AGENTS NAXCOR (US) 1996-03-20 EP disclosed
EP-0693065-A1 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSSLINKING AGENTS NAXCOR (US) 1996-01-24 EP disclosed
WO-1994024120-A1 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSSLINKING AGENTS NAXCOR (US) 1994-10-27 WO disclosed
EP-0466773-A4 COUMARIN DERIVATIVES FOR USE AS NUCLEOTIDE CROSSLINKING REAGENTS 1992-02-05 EP disclosed
EP-0466773-A1 COUMARIN DERIVATIVES FOR USE AS NUCLEOTIDE CROSSLINKING REAGENTS. NAXCOR (US) 1992-01-22 EP disclosed
US-5082934-A COUMARIN DERIVATIVES FOR USE AS NUCLEOTIDE CROSSLINKING REAGENTS NAXCOR (US) 1992-01-21 US disclosed
WO-1990012020-A1 COUMARIN DERIVATIVES FOR USE AS NUCLEOTIDE CROSSLINKING REAGENTS NAXCOR (US) 1990-10-18 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR CA12 4469/4885CA9 4038/4885CA1 4681/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR CA12 4469/4885CA9 4038/4885CA1 4681/4885

“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.