SCHEMBL16921617

SCHEMBL16921617

O=c1c(Br)cocc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL11446792 0.80 MAPT (0.55) MAPK14TDP1L3MBTL1MAPTMAPK1
SCHEMBL23258512 0.80 TDP1 (0.52) MAPK14TDP1L3MBTL1MAPTMAPK1
SCHEMBL10208753 0.76 MAPT (0.53) TDP1L3MBTL1MAPTMAOBSMN1; SMN2
SCHEMBL7316103 0.74 MAOB (0.61) TDP1L3MBTL1MAPTMAPK1MAOB
SCHEMBL2433094 0.73 MAOB (0.54) MAPK14TDP1L3MBTL1MAPTMAPK1
SCHEMBL23258713 0.72 PTGER1 (0.48) MAPK14TDP1L3MBTL1MAPTMAPK1
SCHEMBL23258912 0.72 FFAR1 (0.49) MAPK14TDP1L3MBTL1MAPTMAPK1
SCHEMBL23259170 0.72 MAPT (0.47) MAPK14TDP1L3MBTL1MAPTMAPK1
SCHEMBL20876612 0.72 MAOB (0.50) TDP1L3MBTL1MAPTMAPK1MAOB
SCHEMBL1081189 0.71 MAPT (0.59) MAPK14TDP1L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 — — US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 — — US 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK14 3586/4885TDP1 780/4885L3MBTL1 1368/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK14 3586/4885TDP1 780/4885L3MBTL1 1368/4885

“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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