SCHEMBL5221853

SCHEMBL5221853

O=C(Nc1ccccc1[N+](=O)[O-])OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CHRM3 P20309 8/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F10 P00742 4/20 0.42
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CCR3 P51677 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
SCHEMBL7406978 0.83 HDAC3 (0.55) CHRM3BCHEACHEMAOB
SCHEMBL5261480 0.83 POLB (0.52) MEN1KMT2AF10
SCHEMBL5222933 0.83 POLB (0.50) MAPK1MEN1KMT2AF10HTT
SCHEMBL5222501 0.82 HDAC3 (0.46) CHRM3F10
SCHEMBL5226957 0.81 F10 (0.46) MAPK1MEN1KMT2AF10HTT
SCHEMBL5309789 0.81 F10 (0.46) MAPK1MEN1KMT2AF10BCHE
SCHEMBL5758735 0.80 F10 (0.46) MAPK1MEN1KMT2AF10HTT
SCHEMBL5228290 0.80 F10 (0.38) MAPK1MEN1KMT2AF10
SCHEMBL5224549 0.79 KMT2A (0.51) MAPK1MEN1KMT2AHTT
SCHEMBL5228823 0.79 F10 (0.53) CHRM3F10BCHEACHEMAOB

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 12 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
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-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-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 MAPK1 578/4885CHRM3 4206/4885MEN1 1304/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 MAPK1 1423/4885CHRM3 4698/4885MEN1 1119/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPK1 578/4885CHRM3 4206/4885MEN1 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.