SCHEMBL6206545

SCHEMBL6206545

O=C1CSCCc2ccccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
MAPK13 O15264 1/20 0.61
MAPK12 P53778 1/20 0.61
MAPK11 Q15759 1/20 0.61
MAPK14 Q16539 1/20 0.61
MAPT P10636 3/20 0.58
AHR P35869 1/20 0.53
PDK2 Q15119 1/20 0.53
CREBBP Q92793 6/20 0.45
BRD4 O60885 6/20 0.45
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
HK1 P19367 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1762488 0.83 AHR (0.59) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10082608 0.78 AHR (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10032 0.77 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29365738 0.77 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.77 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30293252 0.75 NPC1 (0.96) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2138422 0.73 MAPT (0.92) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL518954 0.73 MAPT (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7439873 0.72 MAPT (0.89) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL20073842 0.72 NPC1 (0.88) NPC1MAPK13MAPK12MAPK11MAPK14

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
EP-1246828-B1 BENZOSULFONES WITH CALCIUM ANTAGONIST ACTIVITY ORTHO MCNEIL PHARM INC (US) 2005-12-07 EP disclosed
US-6410553-B1 CALCIUM CHANNEL BLOCKERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-25 US disclosed
US-20020049326-A1 Benzosulfones and related compositions and methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-25 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-20020049326-A1 Benzosulfones and related compositions and methods TRPV5, TRPV1, TRPV6 NPC1 4666/4885MAPK13 1940/4885MAPK12 1875/4885

“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.