SCHEMBL29630894

SCHEMBL29630894

O=C(NC1CCc2cc([N+](=O)[O-])cnc2C1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 2/20 0.51
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GRIN2B Q13224 4/20 0.44
TSHR P16473 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
TLR4 O00206 1/20 0.43
EPHX1 P07099 1/20 0.42
RORC P51449 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 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
SCHEMBL13213509 1.00 CA1 (0.51) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL16082549 0.91 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL30061512 0.84 CA1 (0.54) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL20732042 0.84 CA1 (0.54) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL20732046 0.84 CA1 (0.54) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL29630973 0.84 CA1 (0.54) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL4106717 0.83 ALDH1A1 (0.43) CA1CA2ACHEALDH1A1GAA
SCHEMBL13234277 0.82 CA1 (0.52) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL20840969 0.82 CA1 (0.54) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL3020769 0.81 HDAC8 (0.43) HDAC8ALDH1A1GRIN2B

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
CN-116490506-B Fused tricyclic compounds, process for their preparation and their use in medicine 江苏恒瑞医药股份有限公司 2024-12-13 CN disclosed
US-20240360133-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-10-31 US disclosed
EP-4253387-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
CN-116490506-A Fused tricyclic compounds, process for their preparation and their use in medicine 江苏恒瑞医药股份有限公司 2023-07-25 CN disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
WO-2022111636-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-06-02 WO 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CA1 1259/4885CA2 2429/4885ACHE 1811/4885
US-20240360133-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE TLR7, TLR8, TLR9 CA1 3529/4885CA2 3350/4885ACHE 3734/4885

“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.