SCHEMBL6169423

SCHEMBL6169423

COc1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
MAOB P27338 5/20 0.56
BTK Q06187 2/20 0.56
POLB P06746 1/20 0.56
SYK P43405 1/20 0.56
NR1H4 Q96RI1 2/20 0.55
DDR2 Q16832 1/20 0.53
MAP4K4 O95819 1/20 0.53
CLK2 P49760 1/20 0.53
DYRK1A Q13627 1/20 0.53
SRPK1 Q96SB4 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
HPGD P15428 1/20 0.52
MAOA P21397 2/20 0.49

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
SCHEMBL6169107 0.88 BTK (0.59) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6170774 0.84 NR1H4 (0.62) NPC1RAB9ASMN1; SMN2BTKSYK
SCHEMBL6170952 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL7369592 0.79 NR1H4 (0.50) SMN1; SMN2NR1H4PPARGPPARA
SCHEMBL5229158 0.79 TP53 (0.62) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6168824 0.78 NR1H4 (0.48) SMN1; SMN2MAOBNR1H4PPARGPPARA
SCHEMBL6169012 0.77 MAP4K4 (0.57) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6169511 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL7369804 0.77 NPC1 (0.82) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6170667 0.77 MAP4K4 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-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 (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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 NPC1 1604/4885RAB9A 3012/4885SMN1; SMN2 3287/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NPC1 1604/4885RAB9A 3012/4885SMN1; SMN2 3287/4885

“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.