SCHEMBL6171464

SCHEMBL6171464

COc1cccc(C(=O)Nc2ccc3cnn(C(=O)OC(C)(C)C)c3c2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
BRPF1 P55201 1/20 0.41
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL6167971 0.91 RAB9A (0.52) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6169290 0.88 KCNK3 (0.42) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6171299 0.85 HTT (0.51) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6168824 0.81 NR1H4 (0.48) SMN1; SMN2KMT2AMEN1MAPTKCNK3
SCHEMBL6171890 0.80 MEN1 (0.50) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6168670 0.80 EGFR (0.43) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6168126 0.80 PTPN11 (0.43) RAB9AMAPTEGFRITKNPC1
SCHEMBL6170962 0.77 NPC1 (0.53) RAB9AKMT2AMEN1POLBNPC1
SCHEMBL6169267 0.76 TP53 (0.43) SMN1; SMN2KMT2AMEN1MAPTBRPF1
SCHEMBL28087693 0.75 EGFR (0.46) EGFRITKNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 3012/4885SMN1; SMN2 3287/4885KMT2A 4505/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 RAB9A 3012/4885SMN1; SMN2 3287/4885KMT2A 4505/4885

“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.