SCHEMBL5225486

SCHEMBL5225486

COc1ccc(NC(=O)c2cc(N)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.63
F10 P00742 7/20 0.62
TP53 P04637 3/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPT P10636 2/20 0.55
PPARG P37231 2/20 0.55
PPARD Q03181 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
PPARA Q07869 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL5223816 0.91 NR1H4 (0.65) NR1H4F10TP53NPC1RAB9A
SCHEMBL5222102 0.88 NR1H4 (0.64) NR1H4F10TP53NPC1RAB9A
SCHEMBL5225715 0.84 F10 (0.76) NR1H4F10TP53NPC1RAB9A
SCHEMBL5223218 0.84 NR1H4 (0.73) NR1H4F10TP53NPC1RAB9A
SCHEMBL5222845 0.83 MAPT (0.63) NR1H4F10TP53NPC1RAB9A
SCHEMBL5228240 0.83 NR1H4 (0.62) NR1H4F10TP53NPC1RAB9A
SCHEMBL7304276 0.83 NPC1 (0.81) NR1H4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL7301192 0.83 NPC1 (0.81) NR1H4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL5225091 0.81 F10 (0.61) NR1H4F10TP53NPC1RAB9A
SCHEMBL5225151 0.81 F10 (0.61) NR1H4F10TP53NPC1RAB9A

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 11 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-6596884-B2 Synthesizing an analog of anthraquinone that is soluble in or miscible with carbon dioxide; reacting with hydrogen in carbon dioxide to produce tetrahydroquinone; reacting with oxygen to produce hydrogen peroxide; regenerating analog UNIVERSITY OF PITTSBURGH 2003-07-22 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-20020110516-A1 Synthesis of hydrogen peroxide NATIONAL SCIENCE FOUNDATION 2002-08-15 US disclosed
US-6342196-B2 COMPRISES SYNTHESIZING ANALOG OF ANTHRAQUINONE SOLUBLE IN OR MISCIBLE WITH CARBON DIOXIDE, REACTING ANALOG WITH HYDROGEN PRODUCES TETRAHYDROQUINONE, REACTING WITH OXYGEN REGENERATES ANTHRAQUINONE AND PRODUCES HYDROGEN PEROXIDE; SOLVENT-FREE UNIVERSITY OF PITTSBURGH 2002-01-29 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
US-20010007045-A1 SYNTHESIS OF HYDROGEN PEROXIDE NATIONAL SCIENCE FOUNDATION 2001-07-05 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-2000000428-A1 SYNTHESIS OF HYDROGEN PEROXIDE UNIVERSITY OF PITTSBURGH (US) 2000-01-06 WO 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 NR1H4 2304/4885F10 12/4885TP53 4753/4885

“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.