SCHEMBL20420727

SCHEMBL20420727

O=c1cc(-c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 6/20 0.58
▸ CA12 O43570 4/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 2/20 0.46
▸ RET P07949 1/20 0.46
▸ PLA2G2A P14555 1/20 0.45
▸ PLA2G4A P47712 1/20 0.45
▸ NQO1 P15559 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GABRP O00591 3/20 0.43
▸ GABRD O14764 3/20 0.43
▸ GABRA1 P14867 3/20 0.43
▸ GABRB1 P18505 3/20 0.43
▸ GABRG2 P18507 3/20 0.43
▸ GABRB3 P28472 3/20 0.43
▸ GABRA5 P31644 3/20 0.43

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
SCHEMBL20420777 0.88 CA9 (0.54) TNKSCA12CA9CA1CA2
SCHEMBL20420769 0.86 GABRP (0.60) TNKSCA12CA9CA1PLA2G2A
SCHEMBL20420761 0.86 MAOB (0.58) TNKSCA12CA9CA1CA2
SCHEMBL20428325 0.82 HPGD (0.61) TNKSCA12CA9CA1CA2
SCHEMBL20420788 0.82 ALDH1A1 (0.61) TNKSCA1CA2KMT2ATDP1
SCHEMBL20420713 0.81 PTGS2 (0.46) —
SCHEMBL20420725 0.79 NOD2 (0.54) TNKSCA12CA9CA1CA2
SCHEMBL20420715 0.78 CA12 (0.49) TNKSCA12CA9CA1CA2
SCHEMBL20420782 0.76 NQO1 (0.50) TNKSCA12CA9CA1NQO1
SCHEMBL5396825 0.76 NQO1 (0.67) CA12CA9CA1NQO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349959-B 4-substituted coumarin derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2021-11-16 — — CN disclosed
US-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2020-01-28 — — US disclosed
US-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2020-01-28 — — US disclosed
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2018-10-04 — — US disclosed
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 — — EP disclosed
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 — — EP disclosed
CN-108349959-A The coumarin derivative and its preparation method and application of 4 substitutions 贵州百灵企业集团制药股份有限公司 2018-07-31 — — CN 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-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof MAP4, TUBA3C, ABCC1 TNKS 1404/4885CA12 3561/4885CA9 2723/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 TNKS 1404/4885CA12 3561/4885CA9 2723/4885

“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.

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