SCHEMBL600508

SCHEMBL600508

c1ccc(SCc2nc3ccccc3[nH]2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
LMNA P02545 4/20 1.00
SMN1; SMN2 Q16637 9/20 0.67
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP3A4 P08684 1/20 0.63
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 2/20 0.56
HTT P42858 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 1/20 0.55
CYP2E1 P05181 1/20 0.54

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
SCHEMBL6485274 0.84 NPC1 (0.73) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9665138 0.84 RAB9A (0.71) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9665133 0.84 RAB9A (0.71) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9667102 0.84 RAB9A (0.71) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9667095 0.84 NPC1 (0.71) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9665290 0.82 RAB9A (0.69) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9667083 0.82 RAB9A (0.69) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9667150 0.81 NPC1 (0.67) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9665097 0.81 NPC1 (0.67) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9667139 0.81 RAB9A (0.67) NPC1RAB9ALMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO 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 NPC1 2692/4885RAB9A 1267/4885LMNA 4881/4885

“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.