SCHEMBL5758735

SCHEMBL5758735

O=[N+]([O-])c1ccccc1NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
MAPK1 P28482 3/20 0.42
MAPT P10636 7/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
ALK Q9UM73 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KAT2B Q92831 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5758851 0.88 MEN1 (0.48) F10MAPTMEN1KMT2AGAA
SCHEMBL5222933 0.85 POLB (0.50) F10MAPK1MAPTKDM4EMEN1
SCHEMBL5758848 0.84 F10 (0.53) F10MAPK1MAPTLMNACYP1A2
SCHEMBL29588425 0.80 HTT (0.52) MAPK1MAPTMEN1KMT2AKAT2B
SCHEMBL5221853 0.80 MAPK1 (0.46) F10MAPK1MEN1KMT2AHTT
SCHEMBL7220213 0.79 HDAC3 (0.49) F10CYP2C9
SCHEMBL29722553 0.79 KAT2B (0.49) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL20767574 0.79 KAT2B (0.49) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL13319009 0.78 KAT2B (0.51) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL23997424 0.77 ALDH1A1 (0.51) MAPK1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 EP disclosed
US-6780878-B2 ANTICOAGULANTS; CARDIOVASACULAR DISORDERS ELI LILLY AND COMPANY 2004-08-24 US disclosed
US-6716839-B2 INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY 2004-04-06 US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 US disclosed
US-6710057-B2 INHIBITORS OF FACTOR XA, AS ANTICOAGULANTS FOR PROPHYLAXIS AND TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2004-03-23 US disclosed
US-20030212069-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-11-13 US disclosed
US-20030199504-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 US disclosed
US-20030199505-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 US disclosed
US-20030191153-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-09 US disclosed
US-6610704-B1 Inhibit factor Xa ELI LILLY AND COMPANY 2003-08-26 US 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 (4 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-20030191153-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885MAPK1 897/4885MAPT 4597/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885MAPK1 897/4885MAPT 4597/4885
US-20030212069-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885MAPK1 897/4885MAPT 4597/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885MAPK1 897/4885MAPT 4597/4885

“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.