SCHEMBL600507

SCHEMBL600507

c1ccc(SCn2cnc3ccccc32)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTT P42858 2/20 0.50
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ TNF P01375 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ GGPS1 O95749 1/20 0.46
▸ FDPS P14324 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ APAF1 O14727 1/20 0.44

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
SCHEMBL3065318 0.78 TDP1 (0.74) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL3079522 0.78 TDP1 (0.68) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL32660136 0.78 TDP1 (0.74) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL19642850 0.75 TDP1 (0.63) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL2082545 0.73 TDP1 (0.66) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL5841697 0.73 TDP1 (0.51) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL10962344 0.72 POLB (0.49) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL4313381 0.72 CYP11B1 (0.62) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL3862944 0.72 TDP1 (0.70) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL30038122 0.72 TDP1 (0.70) TDP1HTTCYP11B1CYP11B2TNF

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
CN-102378761-A Pyridine thio derivative, and pharmaceutical composition which contains same and has anti-helicobacter pylori action ARIGEN PHARMACEUTICALS INC 2012-03-14 — — CN disclosed
EP-2420500-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION aRigen Pharmaceuticals, Inc. (JP) 2012-02-22 — — EP disclosed
US-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION LINK GENOMICS, INC. (JP) 2012-02-16 — — 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-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION TPMT, TST, PTPN11 TDP1 2594/4885HTT 987/4885CYP11B1 507/4885

“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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