SCHEMBL20420782

SCHEMBL20420782

O=c1cc(-c2ccc(Br)o2)c2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.50
▸ CA12 O43570 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA1 P00915 2/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ MAOA P21397 3/20 0.42
▸ TNKS O95271 1/20 0.42
▸ PRKDC P78527 2/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41

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 0.81 CA9 (0.54) NQO1CA12CA9CA1KMT2A
SCHEMBL5396825 0.80 NQO1 (0.67) NQO1CA12CA9CA1KMT2A
SCHEMBL20420766 0.77 KDM4E (0.57) CA12CA9CA1KMT2AALDH1A1
SCHEMBL28053827 0.77 NQO1 (0.53) NQO1CA12CA9CA1KMT2A
SCHEMBL20420727 0.76 TNKS (0.58) NQO1CA12CA9CA1KMT2A
SCHEMBL20420761 0.76 MAOB (0.58) NQO1CA12CA9CA1KMT2A
SCHEMBL20420716 0.75 ALDH1A1 (0.52) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL516275 0.74 CA9 (0.68) NQO1CA12CA9CA1ALDH1A1
SCHEMBL31264770 0.74 CA9 (0.68) NQO1CA12CA9CA1ALDH1A1
SCHEMBL20420769 0.74 GABRP (0.60) NQO1CA12CA9CA1ALDH1A1

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 6 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-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
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 NQO1 220/4885CA12 3561/4885CA9 2723/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 NQO1 220/4885CA12 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.

Send feedback