SCHEMBL25873100

SCHEMBL25873100

O=[N+]([O-])c1c(-c2c(S)ccc3ccccc23)c2ccccc2c2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ NCEH1 Q6PIU2 1/20 0.32
▸ HNF4A P41235 2/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31

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
SCHEMBL25873072 0.82 MAPT (0.39) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL25873153 0.81 ALDH1A1 (0.39) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL25873098 0.79 NQO1 (0.36) HPGDMAPTMEN1KMT2ATNKS
SCHEMBL25873092 0.73 MAPT (0.39) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL22601485 0.72 TNKS (0.41) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL25873178 0.72 ALDH1A1 (0.39) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL3466137 0.72 KMT2A (0.44) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL16218710 0.71 CYP3A4 (0.44) TSHRCYP3A4LMNAHPGDMAPT
SCHEMBL16218714 0.70 HPRT1 (0.42) TSHRCYP3A4HPGDMAPTTNKS
SCHEMBL3071816 0.70 TSHR (0.62) TSHRCYP3A4MAPTMEN1KMT2A

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 TSHR 4105/4885CYP3A4 322/4885LMNA 413/4885

“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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