SCHEMBL5221079

SCHEMBL5221079

COc1ccc(NC(=O)c2ccc(F)cc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HDAC1 Q13547 3/20 0.51
KLKB1 P03952 1/20 0.51
GCK P35557 1/20 0.51
BRAF P15056 2/20 0.50
RAF1 P04049 1/20 0.50
ARAF P10398 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 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
SCHEMBL5222830 0.89 BRAF (0.59) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL13936249 0.86 KLKB1 (0.56) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL7246423 0.86 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL5224168 0.84 GCK (0.60) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL17343031 0.84 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5225377 0.83 POLB (0.56) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL15932886 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6593295 0.81 P2RX1 (0.58) NPC1RAB9ASMN1; SMN2HTTKMT2A
SCHEMBL10430505 0.81 FADS1 (0.56) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL1662851 0.81 MAOB (0.58) NPC1MAPTMEN1KMT2AHDAC1

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 2658/4885SMN1; SMN2 2752/4885

“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.