SCHEMBL5210685

SCHEMBL5210685

CC(=O)Oc1cccc2ccc(N)nc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.63
NCF1 P14598 4/20 0.53
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4453824 0.84 KMT2A (0.50) MCHR1MEN1NPC1ALDH1A1LMNA
SCHEMBL28555834 0.82 CYP1A2 (0.60) MEN1NPC1ALDH1A1LMNATP53
SCHEMBL15532332 0.82 KMT2A (0.51) MCHR1MEN1NPC1ALDH1A1LMNA
SCHEMBL28662218 0.81 KMT2A (0.50) MEN1NPC1ALDH1A1LMNATP53
SCHEMBL4453463 0.81 KMT2A (0.50) MCHR1MEN1NPC1ALDH1A1LMNA
SCHEMBL19603065 0.81 KMT2A (0.50) MCHR1MEN1NPC1ALDH1A1LMNA
SCHEMBL2943841 0.80 MCHR1 (0.55) MCHR1NCF1
SCHEMBL1162324 0.79 KDM4E (0.57) MEN1NPC1ALDH1A1LMNATP53
SCHEMBL19901542 0.78 KMT2A (0.48) MCHR1MEN1NPC1ALDH1A1LMNA
SCHEMBL21044049 0.78 PDE10A (0.52) MEN1NPC1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 MCHR1 2731/4885NCF1 1691/4885MEN1 2767/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 MCHR1 2777/4885NCF1 960/4885MEN1 2794/4885

“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.