SCHEMBL5226620

SCHEMBL5226620

[O]Cc1ccc(-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
CYP17A1 P05093 8/20 0.48
CYP11B1 P15538 7/20 0.48
CYP11B2 P19099 6/20 0.48
CYP19A1 P11511 4/20 0.48
CYP3A4 P08684 4/20 0.48
NOTUM Q6P988 1/20 0.46
CYP21A2 P08686 1/20 0.46
LSS P48449 1/20 0.46
KIF11 P52732 2/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
QDPR P09417 1/20 0.41
PRKCI P41743 1/20 0.41
CYP2D6 P10635 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL286016 0.84
SCHEMBL15037702 0.80 MAPT (0.55) MAPTLMNACYP17A1CYP11B1CYP11B2
SCHEMBL135626 0.78 MAPT (0.92) MAPTLMNACYP3A4NOTUMKIF11
SCHEMBL10000032 0.78 MAPT (0.92) MAPTLMNACYP3A4NOTUMKIF11
SCHEMBL31236792 0.76 MAPT (0.50) MAPTLMNACYP17A1CYP11B1CYP11B2
SCHEMBL6870747 0.76 MAPT (0.50) MAPTLMNACYP17A1CYP11B1CYP11B2
SCHEMBL8239917 0.75 MAPT (0.59) MAPTLMNACYP17A1CYP11B1CYP11B2
SCHEMBL1439245 0.75 MKNK1 (0.61) MAPTLMNACYP17A1CYP11B1CYP11B2
SCHEMBL1129630 0.75 MAPT (0.55) MAPTLMNACYP17A1CYP11B1CYP11B2
SCHEMBL506294 0.75 LOXL2 (0.71) MAPTLMNACYP17A1CYP11B1CYP11B2

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP claimed
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP claimed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US claimed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US claimed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US claimed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US claimed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US claimed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US claimed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US claimed
EP-0999834-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-04-04 EP claimed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP claimed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP claimed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP claimed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO claimed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed

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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 MAPT 4629/4885LMNA 415/4885CYP17A1 1801/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885LMNA 1410/4885CYP17A1 504/4885

“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.