SCHEMBL5222453

SCHEMBL5222453

COc1ccc(NC(=O)c2cc(C)ccc2N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.60
ARAF P10398 1/20 0.60
BRAF P15056 1/20 0.60
HDAC1 Q13547 1/20 0.60
NPC1 O15118 8/20 0.60
RAB9A P51151 6/20 0.60
HDAC8 Q9BY41 1/20 0.56
TP53 P04637 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 2/20 0.54
HSP90AA1 P07900 1/20 0.54
PKM P14618 1/20 0.54
PAX8 Q06710 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL11746736 0.88 PLAU (0.55) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL15920977 0.86 BRAF (0.60) RAF1ARAFBRAFHDAC1NPC1
SCHEMBL5222830 0.84 BRAF (0.59) RAF1ARAFBRAFHDAC1NPC1
SCHEMBL14363181 0.84 NPC1 (0.66) NPC1RAB9AHDAC8TP53SMN1; SMN2
SCHEMBL10489747 0.83 NPC1 (0.60) NPC1RAB9AHDAC8TP53SMN1; SMN2
SCHEMBL10489750 0.83 NPC1 (0.60) NPC1RAB9AHDAC8TP53SMN1; SMN2
SCHEMBL6592828 0.82 MAPT (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6589803 0.82 FADS1 (0.58) BRAFHDAC1HDAC8MEN1KMT2A
SCHEMBL6594953 0.82 MEN1 (0.59) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2573168 0.82 BRAF (0.59) RAF1ARAFBRAFHDAC1NPC1

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
WO-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed
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 RAF1 1031/4885ARAF 808/4885BRAF 952/4885

“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.