SCHEMBL7244377

SCHEMBL7244377

O=C(Nc1ccccc1[N+](=O)[O-])OC(c1ccncc1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
KCNMA1 Q12791 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5224710 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL5226962 0.81 CYP17A1 (0.36) SLC6A4SLC6A2RAB9AALDH1A1MAPT
SCHEMBL7244090 0.81 CYP17A1 (0.36) SLC6A4SLC6A2RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL5228421 0.78 MEN1 (0.45) SLC6A4SLC6A2SMN1; SMN2RAB9AALDH1A1
SCHEMBL5225301 0.77 RAB9A (0.54) RAB9AALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL5227582 0.76 AKT1 (0.46) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5225038 0.72 GPR132 (0.48) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL27747825 0.72 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL5309796 0.71 CYP17A1 (0.35) SLC6A4SLC6A2SMN1; SMN2MAPTSLC6A3
SCHEMBL5224189 0.69 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 SLC6A4 3247/4885SLC6A2 2954/4885SMN1; SMN2 2752/4885

“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.