SCHEMBL12420409

SCHEMBL12420409

COCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOC(=O)CCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
PSMB8 P28062 2/20 0.32
PSMB5 P28074 1/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
DGKA P23743 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL409627 0.95 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTTSHRADRA2A
SCHEMBL16214307 0.91 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTTSHRADRA2A
SCHEMBL17563496 0.90 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTTSHRPSMB8
SCHEMBL141048 0.87 ADRA2A (0.36) SMN1; SMN2ADRA2AADRA1APSMB8PSMB5
SCHEMBL13535883 0.87 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTTSHRPSMB8
SCHEMBL13535837 0.86 HPGD (0.37) SMN1; SMN2HPGDHTTTSHRADRA2A
SCHEMBL12285234 0.86 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTTSHRPSMB8
2-Methoxyethanol SCHEMBL29386411 0.85 HPGD (0.35) SMN1; SMN2HPGDHTTADRA2AADRA1A
SCHEMBL24564946 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTTSHRPSMB8
SCHEMBL9329901 0.83 DGKA (0.37) HPGDTSHRADRA2AADRA1APSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID JANSSEN PHARMACEUTICA NV (BE) 2011-07-14 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-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID ARFGAP1, ABCC1, FPR1 SMN1; SMN2 4475/4885HPGD 1559/4885HTT 2895/4885

“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.