SCHEMBL4143074

SCHEMBL4143074

N=C(N)c1ccccc1OCc1ccccc1.NC(=O)c1cccc(F)c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ PARP1 P09874 3/20 0.52
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ SGMS2 Q8NHU3 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ F9 P00740 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ KDM1A O60341 1/20 0.43

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
SCHEMBL758009 0.82 HTT (0.59) NPC1PARP1HTTLMNAKMT2A
Hydrochloric Acid SCHEMBL23541018 0.80 HTT (0.57) NPC1PARP1HTTLMNAKMT2A
SCHEMBL718082 0.79 PARP1 (0.79) NPC1PARP1HTTLMNAKMT2A
SCHEMBL1766157 0.77 NPC1 (0.56) NPC1LMNAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL23541286 0.76 F2 (0.59) PARP1HTTMAPTSGMS2F9
SCHEMBL2387474 0.75 NPC1 (0.56) NPC1PARP1HTTLMNAKMT2A
SCHEMBL4152542 0.75 KDM1A (0.51) NPC1F9F10KDM1A
SCHEMBL4143247 0.75 NPC1 (0.52) NPC1PARP1HTTLMNAKMT2A
SCHEMBL2646262 0.74 ALB (0.67) NPC1PARP1HTTMAPTGAA
SCHEMBL7689226 0.74 PARP1 (0.61) NPC1PARP1HTTLMNAKMT2A

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
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 — — EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 — — 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 (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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB NPC1 503/4885PARP1 3786/4885HTT 3362/4885

“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.

Send feedback