SCHEMBL4805867

SCHEMBL4805867

CN(C)CC(=O)Nc1nc(N(CC(=O)O)C(=O)c2cccc(CN)c2)cs1.NC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
MAPK14 Q16539 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RAD52 P43351 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 3/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 2/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL4809541 0.96 MAPT (0.35) MAPTNPC1RAB9ATRPC6MAPK14
SCHEMBL4812018 0.93 NPC1 (0.35) MAPTNPC1RAB9ATRPC6MAPK14
SCHEMBL4812613 0.87 MAPK14 (0.36) NPC1RAB9ATRPC6MAPK14MEN1
Hydrochloric Acid SCHEMBL4806911 0.84 MEN1 (0.36) MAPTNPC1RAB9ATRPC6MAPK14
SCHEMBL7127489 0.84 MEN1 (0.37) NPC1RAB9ATRPC6MAPK14MEN1
Trifluoroacetic Acid SCHEMBL4807459 0.83 MAPK14 (0.33) NPC1RAB9ATRPC6MAPK14MEN1
Trifluoroacetic Acid SCHEMBL4809310 0.82 MEN1 (0.35) MAPTNPC1RAB9ATRPC6MAPK14
Trifluoroacetic Acid SCHEMBL4809932 0.81 MAPK14 (0.35) MAPTNPC1RAB9ATRPC6MAPK14
Trifluoroacetic Acid SCHEMBL4802588 0.80 MEN1 (0.35) TRPC6MAPK14MEN1KMT2ARAD52
Hydrochloric Acid SCHEMBL4811330 0.80 MAPK14 (0.40) MAPTNPC1RAB9ATRPC6MAPK14

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
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US 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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 MAPT 4785/4885NPC1 920/4885RAB9A 3346/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 MAPT 4112/4885NPC1 3113/4885RAB9A 2685/4885

“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.