SCHEMBL1818385

SCHEMBL1818385

CN(c1ccccc1)C(F)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
ALOX5 P09917 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
PLAU P00749 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1820310 0.79 ALDH1A1 (0.44) ALDH1A1GLATSHRNPSR1KMT2A
SCHEMBL8586520 0.78 ALOX5 (0.43) ALDH1A1GLATSHRNPSR1SLC6A2
SCHEMBL1821413 0.78 ALOX5 (0.43) ALDH1A1GLATSHRNPSR1SLC6A2
SCHEMBL11760439 0.77 SLC6A2 (0.45) ALDH1A1GLATSHRNPSR1SLC6A2
SCHEMBL1821353 0.77 SLC6A2 (0.45) ALDH1A1GLATSHRNPSR1SLC6A2
SCHEMBL2754136 0.77 SLC6A2 (0.38) ALDH1A1GLATSHRNPSR1SLC6A2
Carbamic Acid SCHEMBL27977071 0.76 ALDH1A1 (0.46) ALDH1A1GLATSHRNPSR1SLC6A2
SCHEMBL31467993 0.76 SLC6A2 (0.44) ALDH1A1GLATSHRNPSR1SLC6A2
SCHEMBL6828600 0.75 MLYCD (0.38) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL1336550 0.74 SLC6A2 (0.47) ALDH1A1GLATSHRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 ALDH1A1 406/4885GLA 747/4885TSHR 1695/4885

“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.