SCHEMBL811481

SCHEMBL811481

N#Cc1cnc(SCc2ccccc2)nc1N

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
GAA P10253 2/20 0.78
HSD17B10 Q99714 3/20 0.63
ALOX15 P16050 2/20 0.63
USP2 O75604 1/20 0.63
MAPK1 P28482 1/20 0.63
TP53 P04637 2/20 0.58
TSHR P16473 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL810345 0.77 KMT2A (0.69) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL1351680 0.75 ALDH1A1 (0.55) ALDH1A1GAAHSD17B10ALOX15TSHR
SCHEMBL30656174 0.75 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL5120763 0.74 SMN1; SMN2 (0.71) ALDH1A1GAAHSD17B10ALOX15TSHR
SCHEMBL27718774 0.74 SMN1; SMN2 (0.57) ALDH1A1GAAHSD17B10ALOX15TP53
SCHEMBL1352765 0.74 SMN1; SMN2 (0.54) ALDH1A1GAAHSD17B10ALOX15TSHR
SCHEMBL810828 0.74 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL810829 0.74 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL5450296 0.73 RAB9A (0.68) ALDH1A1HSD17B10ALOX15TSHRKMT2A
SCHEMBL1815790 0.72 POLB (0.51) ALDH1A1GAAHSD17B10MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885GAA 504/4885HSD17B10 1572/4885

“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.