SCHEMBL10128630

SCHEMBL10128630

CCOC(=O)Cn1nnc(NBr)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
ATM Q13315 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13361501 0.86 PKM (0.61) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL10128498 0.85 ATM (0.42) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL10128618 0.81 PKM (0.38) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL15706622 0.79 HSD17B10 (0.69) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL14641240 0.76 HSD17B10 (0.79) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL11947615 0.76 ALDH1A1 (0.72) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL9481231 0.75 PKM (0.49) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL10189370 0.74 HSD17B10 (0.61) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL10128633 0.73 PKM (0.47) PKMATMHSD17B10ALDH1A1MAPK1
SCHEMBL1829056 0.73 HSD17B10 (0.60) PKMATMHSD17B10ALDH1A1MAPK1

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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 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 (2 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN PKM 1131/4885ATM 2204/4885HSD17B10 72/4885
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY PKM 1377/4885ATM 2592/4885HSD17B10 64/4885

“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.