SCHEMBL2213047

SCHEMBL2213047

O=C(O)CCc1nc(-c2ccccc2[N+](=O)[O-])no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
MCL1 Q07820 1/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.48
ATM Q13315 2/20 0.48
FFAR1 O14842 2/20 0.47
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
ABCB1 P08183 1/20 0.44
RAB9A P51151 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.43

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
SCHEMBL14374411 0.82 MAPT (0.50) ALDH1A1CYP3A4HPGDLMNAPOLB
SCHEMBL6325690 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4HPGDMCL1LMNA
SCHEMBL6332414 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDMCL1LMNA
SCHEMBL6326180 0.79 HPGD (0.65) ALDH1A1CYP3A4HPGDMCL1LMNA
SCHEMBL6328228 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDMCL1LMNA
SCHEMBL6326021 0.79 ATM (0.72) ALDH1A1CYP3A4HPGDMCL1LMNA
SCHEMBL7828530 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4HPGDMCL1LMNA
SCHEMBL5717586 0.77 TSHR (0.67) ALDH1A1HPGDMCL1LMNATSHR
SCHEMBL10552543 0.77 MAPT (0.46) ALDH1A1HPGDLMNAPOLBTP53
SCHEMBL5330405 0.77 ALDH1A1 (0.83) ALDH1A1CYP3A4HPGDMCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 ALDH1A1 521/4885CYP3A4 1297/4885HPGD 206/4885

“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.