SCHEMBL20420760

SCHEMBL20420760

O=c1cc(-c2ccc(-c3ccccc3Cl)s2)c2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ KCNA3 P22001 2/20 0.45
▸ NQO1 P15559 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ PIM1 P11309 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ NMUR2 Q9GZQ4 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ C1R P00736 1/20 0.38

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
SCHEMBL28227416 0.85 CA12 (0.70) CA12CA9KCNA3NQO1CA1
SCHEMBL20420715 0.83 CA12 (0.49) CA12CA9NQO1CA1CYP1A1
SCHEMBL20420754 0.82 CA12 (0.51) CA12CA9KCNA3CA1PIM1
SCHEMBL20420803 0.82 CA9 (0.49) CA12CA9NQO1CA1CYP1A1
SCHEMBL20420779 0.81 CA12 (0.53) CA12CA9KCNA3NQO1CA1
SCHEMBL20420721 0.80 APP (0.58) KCNA3CYP1A2MAOAAHRMEN1
SCHEMBL20420794 0.79 NQO1 (0.47) CA12CA9NQO1CA1MAOA
SCHEMBL20420799 0.78 CA12 (0.49) CA12CA9NQO1CA1MAOA
SCHEMBL5396825 0.76 NQO1 (0.67) CA12CA9NQO1CA1MAOA
SCHEMBL20428397 0.75 ALDH1A1 (0.52) CA12CA9NQO1CA1CYP1A2

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 CA12 3561/4885CA9 2723/4885KCNA3 2038/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 CA12 3561/4885CA9 2723/4885KCNA3 2038/4885

“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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