SCHEMBL6167971

SCHEMBL6167971

Cc1cccc(C(=O)Nc2ccc3cnn(C(=O)OC(C)(C)C)c3c2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 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
SCHEMBL6171464 0.91 RAB9A (0.48) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6171299 0.89 HTT (0.51) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6168670 0.85 EGFR (0.43) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6171890 0.82 MEN1 (0.50) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6168126 0.81 PTPN11 (0.43) RAB9AMAPTEGFRITKNPC1
SCHEMBL6169290 0.81 KCNK3 (0.42) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6170175 0.80 TP53 (0.51) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28087693 0.77 EGFR (0.46) EGFRITK
SCHEMBL15067358 0.77 EGFR (0.40) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL6172367 0.76 HPGD (0.48) RAB9ASMN1; SMN2MEN1KMT2AMAPT

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 3287/4885MEN1 1304/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 RAB9A 3012/4885SMN1; SMN2 3287/4885MEN1 1304/4885

“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.