SCHEMBL6170045

SCHEMBL6170045

CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
KMT2A Q03164 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
BTK Q06187 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR1H4 Q96RI1 7/20 0.46

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
SCHEMBL6170589 0.94 HPGD (0.57) ESR1RAB9ANPC1LMNAMAPT
SCHEMBL6171764 0.85 RAB9A (0.53) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL6172764 0.84 NR1H4 (0.64) ESR1BTKNR1H4PPARGPPARA
SCHEMBL13483891 0.83 ESR1 (0.76) ESR1RAB9ANPC1MAPTMEN1
SCHEMBL6169846 0.82 ESR1 (0.55) ESR1BTKNR1H4PPARGPPARA
SCHEMBL7367665 0.82 RAB9A (0.48) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL7246263 0.80 RAB9A (0.61) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL6171357 0.80 ESR1 (0.53) ESR1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6170327 0.80 ESR1 (0.51) ESR1RAB9ANPC1LMNAMAPT
SCHEMBL5222845 0.80 MAPT (0.63) RAB9ANPC1LMNAMAPTMEN1

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 ESR1 4237/4885RAB9A 3012/4885NPC1 1604/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 ESR1 4237/4885RAB9A 3012/4885NPC1 1604/4885

“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.