SCHEMBL5222678

SCHEMBL5222678

CC(C)(C)c1ccc(C(=O)c2cccc(N)c2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESRRA P11474 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGS2 P35354 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
SCHEMBL9706058 0.81 GAA (0.55) GAAMAPTABCB11LMNAPTGS1
SCHEMBL9737659 0.80 LIG1 (0.56) SRD5A2GAAMAPTMEN1RAB9A
SCHEMBL29786713 0.79 MAPT (0.74) GAAMAPTTDP1MEN1POLB
Benzene SCHEMBL28303083 0.79 MAPT (0.74) GAAMAPTTDP1MEN1POLB
SCHEMBL112508 0.79 MAPT (0.74) GAAMAPTTDP1MEN1POLB
SCHEMBL7743794 0.78 MAPT (0.52) GAAMAPTABCB11LMNAPTGS1
SCHEMBL5228003 0.78 EPHX2 (0.48) MAPTTDP1HDAC1MEN1NPC1
SCHEMBL28282156 0.78 MAPT (0.71) GAAMAPTTDP1MEN1POLB
SCHEMBL14579889 0.77 SRD5A2 (0.50) SRD5A2GAAMAPTTDP1SIRT1
SCHEMBL3195451 0.77 KMT2A (0.58) GAAMAPTTDP1HDAC1MEN1

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 18 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
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US 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
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 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
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-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
WO-1999000127-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 (3 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 SRD5A2 737/4885GAA 846/4885MAPT 4730/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 SRD5A2 1363/4885GAA 77/4885MAPT 4291/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 SRD5A2 737/4885GAA 846/4885MAPT 4730/4885

“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.