SCHEMBL20420803

SCHEMBL20420803

O=c1cc(-c2ccc(-c3ccccc3)s2)c2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.49
▸ CA12 O43570 5/20 0.49
▸ AKR1B1 P15121 2/20 0.49
▸ MAOB P27338 2/20 0.49
▸ MAOA P21397 2/20 0.49
▸ ALDH2 P05091 1/20 0.49
▸ HSD17B3 P37058 1/20 0.49
▸ SORD Q00796 1/20 0.49
▸ NQO1 P15559 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ PRKDC P78527 1/20 0.45
▸ HPGD P15428 6/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ CA2 P00918 1/20 0.44

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
SCHEMBL20420779 0.89 CA12 (0.53) CA9CA12AKR1B1MAOBMAOA
SCHEMBL20420715 0.89 CA12 (0.49) CA9CA12AKR1B1MAOBMAOA
SCHEMBL20420799 0.89 CA12 (0.49) CA9CA12AKR1B1MAOBMAOA
SCHEMBL20420801 0.86 HPGD (0.51) MAOAHPGDCYP1B1SMN1; SMN2NPC1
SCHEMBL20420786 0.85 ALDH1A1 (0.52) MAOBMAOACA1HPGDSMN1; SMN2
SCHEMBL20428397 0.85 ALDH1A1 (0.52) CA9CA12AKR1B1MAOBMAOA
SCHEMBL20420774 0.84 PTGS2 (0.44) CA9CA12NQO1CA1
SCHEMBL20420760 0.82 CA12 (0.53) CA9CA12AKR1B1MAOBMAOA
SCHEMBL31264770 0.82 CA9 (0.68) CA9CA12AKR1B1MAOBMAOA
SCHEMBL516275 0.82 CA9 (0.68) CA9CA12AKR1B1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354648-B1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF CHENGDU ZENITAR BIOMEDICAL TECH CO LTD (CN) 2022-04-06 — — EP disclosed
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 CA9 2723/4885CA12 3561/4885AKR1B1 599/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 CA9 2723/4885CA12 3561/4885AKR1B1 599/4885

“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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