SCHEMBL2765442

SCHEMBL2765442

Brc1ccc2c(c1)Cc1c[c]ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.43
TDP2 O95551 1/20 0.42
PGR P06401 2/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CHEK2 O96017 1/20 0.37
ROS1 P08922 1/20 0.37
MARK3 P27448 1/20 0.37
LTK P29376 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
AURKB Q96GD4 1/20 0.37
PBK Q96KB5 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP4K5 Q9Y4K4 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
SCHEMBL2238415 0.82 NPC1 (0.32)
SCHEMBL28126153 0.82 METAP1 (0.57) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL40823 0.82 METAP1 (0.57) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL71211 0.82
SCHEMBL29376113 0.82 METAP1 (0.57) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL27619851 0.80 METAP1 (0.55) METAP1TDP2PGRSRD5A1SRD5A2
Ammonia Solution, Strong SCHEMBL28144371 0.80 METAP1 (0.55) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL2764606 0.78 PGR (0.39) TDP2PGRSRD5A1CA1CA2
SCHEMBL2765317 0.78 METAP1 (0.43) METAP1PGRSRD5A1SRD5A2CA1
SCHEMBL7802748 0.78 RAB9A (0.56) TDP2TDP1L3MBTL1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
CN-1173170-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-02-11 CN 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 (6 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 METAP1 260/4885TDP2 3471/4885PGR 968/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 METAP1 268/4885TDP2 2235/4885PGR 1333/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 METAP1 257/4885TDP2 2235/4885PGR 1327/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 METAP1 263/4885TDP2 3568/4885PGR 1004/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 METAP1 257/4885TDP2 2235/4885PGR 1327/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 METAP1 245/4885TDP2 2179/4885PGR 1359/4885

“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.