SCHEMBL10111979

SCHEMBL10111979

Brc1nnc(-c2nn[nH]n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
PBRM1 Q86U86 1/20 0.41
ADH5 P11766 1/20 0.40
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCD O00767 1/20 0.37
GPR35 Q9HC97 2/20 0.37
RPA1 P27694 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LDHA P00338 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
SCHEMBL3323637 0.72 PTGS1 (0.45) ADH5ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9985471 0.69 ALDH1A1 (0.62) ATMPBRM1ADH5ALDH1A1MEN1
SCHEMBL2215941 0.65 ATM (0.48) ATMPBRM1ADH5PTK2ALDH1A1
SCHEMBL467316 0.61 ATM (1.00) ATMPBRM1ADH5PTK2ALDH1A1
SCHEMBL14806649 0.59
SCHEMBL15849789 0.59 ADH5 (0.68) ATMADH5PTK2ALDH1A1MEN1
SCHEMBL9984638 0.59 ADH5 (0.95) ATMADH5ALDH1A1MEN1KMT2A
SCHEMBL4206359 0.58 PBRM1 (1.00) ATMPBRM1ADH5ALDH1A1MEN1
SCHEMBL16583618 0.57 ATM (0.53) ATMADH5PTK2ALDH1A1RPA1
SCHEMBL13113384 0.57 RPA1 (0.48) ATMADH5ALDH1A1MEN1KMT2A

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 3 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN ATM 2204/4885PBRM1 3098/4885ADH5 312/4885

“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.