SCHEMBL5226989

SCHEMBL5226989

COc1ccc(C(=O)c2ccc(N)c(N)c2C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 6/20 0.51
KMT2A Q03164 4/20 0.50
HTT P42858 4/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PARP1 P09874 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
PARP4 Q9UKK3 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL8996806 0.84 MAPT (0.54) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL3195451 0.81 KMT2A (0.58) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL8081475 0.80 MAPT (0.65) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL8983004 0.80 NPC1 (0.68) NPC1RAB9AMAPTKMT2AHTT
Hydrochloric Acid SCHEMBL5226809 0.79 KMT2A (0.56) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL9929150 0.77 NPC1 (0.64) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL6259753 0.77 RAB9A (0.51) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL5685223 0.77 KMT2A (0.66) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL30435450 0.77 KMT2A (0.66) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL11208174 0.76 NPC1 (0.54) NPC1RAB9AMAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 NPC1 1618/4885RAB9A 2658/4885MAPT 4291/4885

“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.