SCHEMBL5222933

SCHEMBL5222933

O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CCR3 P51677 1/20 0.49
NPY5R Q15761 1/20 0.48
MAPK1 P28482 2/20 0.47
F10 P00742 2/20 0.47
NPC1 O15118 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5758735 0.85 F10 (0.46) MAPK1F10NPC1KMT2AMEN1
SCHEMBL5224549 0.84 KMT2A (0.51) MAPK1NPC1KMT2AMEN1HTT
SCHEMBL7870016 0.83 HDAC1 (0.58) POLBF10KMT2ABRD4KDM4E
SCHEMBL5221853 0.83 MAPK1 (0.46) CCR3MAPK1F10KMT2AMEN1
SCHEMBL7371754 0.78 F10 (0.55) F10HTTKDM4E
SCHEMBL5222943 0.78 F10 (0.49) F10
SCHEMBL7414220 0.78 CCR3 (0.64) CCR3NPY5RMAPK1KMT2AMEN1
SCHEMBL5758848 0.74 F10 (0.53) MAPK1F10NPC1ALDH1A1MAPT
SCHEMBL11616654 0.74 MEN1 (0.59) MAPK1NPC1KMT2AMEN1HTT
SCHEMBL5758851 0.74 MEN1 (0.48) POLBF10KMT2AMEN1HTT

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 15 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
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
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
WO-1999000121-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 POLB 4312/4885CCR3 3969/4885NPY5R 2711/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 POLB 2711/4885CCR3 4429/4885NPY5R 1977/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 POLB 4312/4885CCR3 3969/4885NPY5R 2711/4885

“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.