SCHEMBL26471836

SCHEMBL26471836

Nc1nccc(S)c1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.35
▸ NOS3 P29474 4/20 0.33
▸ NOS2 P35228 4/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ F12 P00748 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL23901911 0.76 USP7 (0.35) USP7NOS3NOS2NOS1F12
SCHEMBL28907422 0.76 NOS3 (0.37) USP7NOS3NOS2NOS1F12
SCHEMBL22493647 0.76 USP7 (0.35) USP7NOS3NOS2NOS1F12
SCHEMBL23083710 0.76 NOS2 (0.38) NOS3NOS2NOS1F12PLAU
SCHEMBL26686534 0.76 USP7 (0.35) USP7NOS3NOS2NOS1F12
SCHEMBL28664194 0.75 KDM5A (0.35) USP7PRKCI
Potassium Ion SCHEMBL28907435 0.74 USP7 (0.34) USP7NOS3NOS2NOS1F12
SCHEMBL3388421 0.72 NOS3 (0.37) USP7NOS3NOS2NOS1F12
SCHEMBL12540028 0.72 ESR2 (0.35) USP7NOS3NOS2NOS1
SCHEMBL12540026 0.72 ESR2 (0.35) USP7NOS3NOS2NOS1

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-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 — — 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-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 USP7 3533/4885NOS3 1142/4885NOS2 619/4885

“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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