SCHEMBL3227629

SCHEMBL3227629

CCOC(=O)Cn1nnc(-c2cc(O)no2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
XPO1 O14980 2/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 2/20 0.39
SCD5 Q86SK9 1/20 0.39

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
SCHEMBL3100029 0.82 SCD (0.53) ALDH1A1MEN1KMT2ASCDSCD5
SCHEMBL13332435 0.80 SCD (0.53) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL13261290 0.80 SCD (0.47) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL13332439 0.78 NPSR1 (0.51) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL13332438 0.78 NPSR1 (0.51) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL4498133 0.76 ALDH1A1 (0.57) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL3707224 0.73 CYP1A2 (0.50) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL13257916 0.72 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL3108263 0.71 SCD (0.53) ALDH1A1MAPK1MAPTNPSR1L3MBTL1
SCHEMBL10111873 0.71 MAPT (0.61) ALDH1A1MAPK1MAPTNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 WO disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 ALDH1A1 2012/4885MAPK1 3285/4885MAPT 3566/4885

“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.