SCHEMBL10128618

SCHEMBL10128618

CC(C)(C)OC(=O)Cn1nnc(NBr)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.35
CNR2 P34972 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL10128498 0.78 ATM (0.42) PKMATMHSD17B10RAB9ANPC1
SCHEMBL29231154 0.77 PKM (0.51) PKMATMHSD17B10MAPK1ALDH1A1
SCHEMBL7346545 0.77 ALDH1A1 (0.50) PKMATMHSD17B10MAPK1L3MBTL1
SCHEMBL29230922 0.75 PKM (0.42) PKMATMHSD17B10MAPK1L3MBTL1
SCHEMBL29231138 0.73 HDAC6 (0.41) PKMATMHSD17B10MAPK1L3MBTL1
SCHEMBL29820837 0.71 PKM (0.49) PKMATMHSD17B10MAPK1TP53
SCHEMBL6737557 0.71 SCD (0.43) HSD17B10RAB9ANPC1MAPK1HTT
SCHEMBL13332455 0.71 MEN1 (0.39) PKMATMHSD17B10RAB9ANPC1
SCHEMBL10128478 0.71 MAPK1 (0.41) RAB9ANPC1MAPK1ALDH1A1KMT2A
SCHEMBL6736900 0.69 PKM (0.33) PKMATMHSD17B10ALDH1A1KMT2A

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.