SCHEMBL3102877

SCHEMBL3102877

COC(=O)c1ccc2c(Br)cn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.39
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK10 P53779 1/20 0.38
KIF11 P52732 2/20 0.38
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LCK P06239 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL25272713 0.90 HTR6 (0.43) NOTUMHSD17B10PKMRAB9AHTR6
SCHEMBL15566143 0.86 L3MBTL1 (0.40) HSD17B10HTR6ALDH1A1KDM4EL3MBTL1
SCHEMBL143209 0.85 RAB9A (0.39) PKMRAB9AHTR6KDM4EKIF11
SCHEMBL15902423 0.84 MEN1 (0.41) RAB9AHTR6ALDH1A1KIF11L3MBTL1
SCHEMBL17113072 0.82 UCHL1 (0.41) NOTUMHSD17B10PKMHTR6ALDH1A1
SCHEMBL31370660 0.82 HTR6 (0.40) HSD17B10HTR6ALDH1A1KDM4EL3MBTL1
SCHEMBL23330894 0.82 L3MBTL1 (0.43) HTR6L3MBTL1LMNABRD4
SCHEMBL146186 0.81 SCN9A (0.44) ALDH1A1KDM4EKIF11L3MBTL1HDAC1
SCHEMBL29943539 0.81 HTR6 (0.40) HTR6ALDH1A1USP30L3MBTL1BRD4
SCHEMBL23330476 0.81 HTR6 (0.40) HTR6ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 NOTUM 3342/4885HSD17B10 2965/4885PKM 2958/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 NOTUM 3622/4885HSD17B10 2835/4885PKM 3503/4885

“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.