SCHEMBL4003073

SCHEMBL4003073

Cc1cc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
S1PR4 O95977 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH3A1 P30838 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 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
SCHEMBL6816039 0.82 EPAS1 (0.40) EPAS1PTPN1ALDH1A1MAPTNPC1
SCHEMBL6816625 0.80 PDE7A (0.49) EPAS1PTPN1ALDH1A1MAPTNPC1
SCHEMBL31090816 0.80 TSHR (0.49) PTPN1ALDH1A1MAPTNPC1RAB9A
SCHEMBL810810 0.80 TSHR (0.49) PTPN1ALDH1A1MAPTNPC1RAB9A
SCHEMBL31090845 0.80 PDE7A (0.49) EPAS1PTPN1ALDH1A1MAPTNPC1
SCHEMBL3159310 0.79 LMNA (0.44) EPAS1PTPN1ALDH1A1MAPTRAB9A
SCHEMBL12777011 0.78 ALDH1A1 (0.46) PTPN1ALDH1A1MAPTALDH3A1TDP1
SCHEMBL7336648 0.78 CRHBP (0.40) EPAS1PTPN1ALDH1A1MAPTALPL
SCHEMBL7550828 0.77 TSHR (0.49) PTPN1ALDH1A1MAPTNPC1S1PR4
SCHEMBL9312984 0.77 S1PR4 (0.41) MAPTNPC1RAB9AS1PR4ALPL

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
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
EP-2068867-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-06-17 EP disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 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 (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-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R EPAS1 724/4885PTPN1 2965/4885ALDH1A1 1283/4885

“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.