SCHEMBL6257700

SCHEMBL6257700

O=C(Nc1cccnc1)c1ccc(SCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
SGMS2 Q8NHU3 2/20 0.62
LRRK2 Q5S007 8/20 0.56
NAMPT P43490 4/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL8169311 0.86 LMNA (0.66) POLBNAMPTLMNAGAA
SCHEMBL12010986 0.80 RAB9A (0.80) POLBTAAR1SGMS2LRRK2NAMPT
SCHEMBL17551873 0.79 SGMS2 (0.89) SGMS2LRRK2
SCHEMBL6260237 0.78 PTGER1 (0.62)
SCHEMBL19133749 0.78 SGMS2 (1.00) SGMS2LRRK2
SCHEMBL30322841 0.78 SGMS2 (1.00) SGMS2LRRK2
SCHEMBL8162286 0.77 SPHK2 (0.57) SGMS2RAB9ANPC1LMNA
SCHEMBL31261596 0.77 SGMS2 (0.76) POLBTAAR1SGMS2LRRK2RAB9A
SCHEMBL8174051 0.76 NPC1 (0.53) RAB9ANPC1LMNA
SCHEMBL6258686 0.76 PTGER1 (0.50) LMNAGAA

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-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 EP disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 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 (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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 POLB 2940/4885TAAR1 550/4885SGMS2 1940/4885

“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.