SCHEMBL4451025

SCHEMBL4451025

O=C(O)CCSc1nc2ccccc2n1Cc1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
KMT2A Q03164 2/20 0.69
SLC12A2 P55011 1/20 0.69
SLC12A5 Q9H2X9 1/20 0.69
HPGD P15428 1/20 0.65
MAPK1 P28482 1/20 0.58
PTGDR2 Q9Y5Y4 4/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SLC22A12 Q96S37 1/20 0.56
CMA1 P23946 3/20 0.55
CTSG P08311 2/20 0.55
AR P10275 1/20 0.53
HCRTR1 O43613 1/20 0.53
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4307028 0.93 SLC12A2 (0.67) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL7027470 0.92 SLC12A2 (0.66) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL7027475 0.92 SLC12A2 (0.66) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL4447511 0.92 SLC12A2 (0.66) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL4455398 0.85 KMT2A (0.56) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL17068754 0.83 L3MBTL1 (1.00) L3MBTL1KMT2AMAPK1PTGDR2MEN1
SCHEMBL7035111 0.81 PTGDR2 (0.69) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL7028807 0.80 SLC12A2 (0.51) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL4447514 0.80 HPGD (0.58) L3MBTL1KMT2ASLC12A2SLC12A5HPGD
SCHEMBL4452536 0.80 CMA1 (0.56) L3MBTL1KMT2ASLC12A2SLC12A5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 EP 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 (2 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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 L3MBTL1 1943/4885KMT2A 2450/4885SLC12A2 604/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR L3MBTL1 4400/4885KMT2A 4822/4885SLC12A2 3488/4885

“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.