SCHEMBL25873153

SCHEMBL25873153

O=[N+]([O-])c1c(-c2cccc3ccccc23)c2ccccc2c2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAP3K9 P80192 2/20 0.33
▸ MAP3K11 Q16584 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL25873178 0.90 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL25873100 0.81 TSHR (0.39) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL16218710 0.79 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL25873072 0.78 MAPT (0.39) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL22607155 0.77 DHFR (0.39) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL16218719 0.76 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL14951426 0.76 S100A4 (0.41) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL16218713 0.76 PARP14 (0.43) CYP3A4MEN1MAPTKMT2ALMNA
SCHEMBL22601485 0.75 TNKS (0.41) ALDH1A1CYP3A4TSHRMEN1MAPT
SCHEMBL22601474 0.75 CYP3A4 (0.40) CYP3A4TSHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 — — 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 (1 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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 ALDH1A1 3407/4885CYP3A4 322/4885TSHR 4105/4885

“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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