SCHEMBL22271588

SCHEMBL22271588

Nc1ccc2c(c1)C(=O)SC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.59
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ PTPRC P08575 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ TDP2 O95551 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ NSD2 O96028 1/20 0.42

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
SCHEMBL6370751 0.84 ACHE (0.53) ACHERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13871237 0.78 NPC1 (0.51) ACHERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL22271438 0.76 ACHE (0.59) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL5845169 0.74 ACHE (1.00) ACHEALDH1A1KMT2AHPGDS100A4
SCHEMBL25385438 0.71 ACHE (0.83) ACHERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4231216 0.71 MAPK14 (0.62) ACHERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL22898465 0.71 ACHE (0.52) ACHERAB9AALDH1A1CYP3A4TDP1
SCHEMBL17058097 0.70 — —
Hydrochloric Acid SCHEMBL4232797 0.70 MAPK14 (0.61) ACHERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3278777 0.68 MAPT (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2TP53

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-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
EP-3686204-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-07-29 — — EP 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 2082/4885RAB9A 3566/4885NPC1 2071/4885
US-11312726-B2 Thienodiazepine derivatives and application thereof BRD4, BRD3, BRD2 ACHE 2082/4885RAB9A 3566/4885NPC1 2071/4885

“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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