SCHEMBL1819683

SCHEMBL1819683

Cc1ccccc1C(C)(CCc1ccccc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
SSTR4 P31391 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1818243 0.84 POLB (0.40) ALDH1A1MAPTKMT2AP2RX7POLB
SCHEMBL4560574 0.81 MAPT (0.52) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL1822592 0.79 NPSR1 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL6803588 0.77 HDAC3 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL9190217 0.74 GRM2 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL27957913 0.74 AR (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL5320849 0.74 MAPT (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL4559947 0.72 MAPT (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL28487224 0.71 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL4664548 0.71 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2POLB

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 GPR52 201/4885ALDH1A1 406/4885MAPT 2414/4885

“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.