SCHEMBL14901949

SCHEMBL14901949

Cc1cc(C)c(Br)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 2/20 0.41
TSHR P16473 1/20 0.38
PRKDC P78527 1/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16830969 0.78 ERN1 (0.44) ERN1ALDH1A1KDM4ESMN1; SMN2SRC
SCHEMBL25612184 0.78 ERN1 (0.43) ERN1ALDH1A1TSHRPRKDCGRIA1
SCHEMBL25612470 0.78 ERN1 (0.48) ERN1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL6825324 0.77 ALDH1A1 (0.40) ERN1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14877416 0.76 ERN1 (0.56) ERN1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL1312151 0.76 ERN1 (0.56) ERN1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL6828147 0.75 ERN1 (0.46) ERN1ALDH1A1KDM4EMAPTTSHR
SCHEMBL30973483 0.75 ERN1 (0.62) ERN1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11886570 0.75 ERN1 (0.62) ERN1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL14889876 0.75 NOTUM (0.34) ERN1ALDH1A1SMN1; SMN2MAPTTSHR

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
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
CN-107278201-A Quinazoline derivatives for the treatment of HIV 吉利德科学公司 2017-10-20 CN disclosed
US-9346825-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2016-05-24 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME LLC 2014-12-25 US disclosed
US-8871738-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 WO disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 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 (3 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-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor CETP, MTTP, APOB ERN1 965/4885ALDH1A1 2901/4885KDM4E 2743/4885
US-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 ERN1 2987/4885ALDH1A1 3721/4885KDM4E 3816/4885
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB ERN1 965/4885ALDH1A1 2901/4885KDM4E 2743/4885

“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.