SCHEMBL339852

SCHEMBL339852

CC(C)(C)[S+]([O-])/N=C/c1cc2nccn2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.33
NPC1 O15118 1/20 0.33
RORC P51449 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL1912511 0.84 NPC1 (0.34) EGLN2NPC1
SCHEMBL338509 0.77 TDP1 (0.41) EGLN2NPC1RORCDPP4
SCHEMBL4196947 0.73 EGLN2 (0.38) EGLN2NPC1DPP4
SCHEMBL340171 0.73 NPC1 (0.33) EGLN2NPC1RORC
SCHEMBL20424674 0.72 GRIN2D (0.44)
SCHEMBL1888675 0.72 GRIN2D (0.44)
SCHEMBL1888676 0.72 GRIN2D (0.44)
SCHEMBL1913156 0.69 EGLN2 (0.41) EGLN2NPC1RORCDPP4
SCHEMBL13608099 0.69 TP53 (0.32)
SCHEMBL1913172 0.68 NPC1 (0.41) EGLN2NPC1RORCDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC EGLN2 1199/4885NPC1 605/4885RORC 1274/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC EGLN2 1199/4885NPC1 605/4885RORC 1274/4885

“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.