SCHEMBL22898465

SCHEMBL22898465

O=C1SCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.52
▸ PTPRC P08575 3/20 0.50
▸ S100A4 P26447 2/20 0.50
▸ BCHE P06276 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ TDP2 O95551 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.45
▸ PARP1 P09874 2/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 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
SCHEMBL6235519 0.86 PTPRC (0.50) ACHEPTPRCS100A4BCHECES1
SCHEMBL10416040 0.81 PTPRC (0.51) ACHEPTPRCS100A4BCHECES1
SCHEMBL8503139 0.73 PTPRC (0.55) ACHEPTPRCS100A4BCHECES1
SCHEMBL16559365 0.73 MAPT (0.61) ACHEPTPRCS100A4BCHECES1
SCHEMBL13698354 0.72 PTPRC (0.50) ACHEPTPRCS100A4BCHECES1
SCHEMBL568785 0.71 BAZ1A (0.58) ACHEPTPRCS100A4BCHECES1
SCHEMBL30954730 0.71 BAZ1A (0.58) ACHEPTPRCS100A4BCHECES1
SCHEMBL22271588 0.71 ACHE (0.59) ACHEPTPRCS100A4TDP2ALDH1A1
SCHEMBL22271438 0.71 ACHE (0.59) ACHEALDH1A1TDP1MAPTMEN1
SCHEMBL8762150 0.71 PNMT (0.50) TDP2ALDH1A1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312726-B2 Thienodiazepine derivatives and application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-04-26 — — US disclosed
US-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2021-01-21 — — 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-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF BRD4, BRD3, BRD2 ACHE 2082/4885PTPRC 2739/4885S100A4 3693/4885
US-11312726-B2 Thienodiazepine derivatives and application thereof BRD4, BRD3, BRD2 ACHE 2082/4885PTPRC 2739/4885S100A4 3693/4885

“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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