SCHEMBL9570949

SCHEMBL9570949

Cc1csc(NC(=O)C(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
FFAR2 O15552 1/20 0.59
HTT P42858 3/20 0.58
POLB P06746 3/20 0.57
RAB9A P51151 8/20 0.55
NPC1 O15118 6/20 0.55
TYR P14679 1/20 0.54
GAA P10253 3/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RCE1 Q9Y256 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
Bromide SCHEMBL11321216 0.85 FFAR2 (0.56) MAPTFFAR2HTTPOLBRAB9A
Bromide SCHEMBL11341350 0.82 FFAR2 (0.56) MAPTFFAR2HTTPOLBRAB9A
SCHEMBL27944093 0.82 TYR (0.57) MAPTFFAR2HTTRAB9ANPC1
SCHEMBL10816647 0.81 RAB9A (0.71) MAPTHTTPOLBRAB9ANPC1
SCHEMBL1691061 0.81 MAPT (0.68) MAPTHTTPOLBRAB9ANPC1
SCHEMBL12894450 0.81 CYP1A2 (0.53) FFAR2HTTRAB9ANPC1TYR
SCHEMBL19994395 0.79 MAPT (0.66) MAPTHTTPOLBRAB9ANPC1
SCHEMBL48394 0.79 MAPT (0.66) MAPTHTTPOLBRAB9ANPC1
SCHEMBL7906267 0.79 L3MBTL1 (0.68) MAPTHTTPOLBRAB9ANPC1
SCHEMBL839275 0.79 POLB (0.57) MAPTFFAR2HTTPOLBRAB9A

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-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
EP-0574118-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-12-15 EP 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 MAPT 2332/4885FFAR2 2823/4885HTT 1328/4885

“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.