SCHEMBL3606832

SCHEMBL3606832

CCOC(=O)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 3/20 0.57
PLA2G1B P04054 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
GRM2 Q14416 1/20 0.52
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL25911626 0.90 GRM2 (0.55) SMN1; SMN2MAPTPLA2G1BCYP1A2CYP3A4
SCHEMBL3092869 0.87 HSD17B10 (0.51) SMN1; SMN2MAPTHSD17B10MAPK1GRM2
SCHEMBL1909166 0.87 GRM2 (0.53) CYP1A2CYP3A4KMT2AHSD17B10MAPK1
SCHEMBL28595790 0.86 ESR1 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2821953 0.86 LMNA (0.54) SMN1; SMN2MAPTHSD17B10GRM2LMNA
SCHEMBL554548 0.85 GRM2 (0.51) SMN1; SMN2CYP1A2CYP3A4KMT2AHSD17B10
SCHEMBL16246754 0.85 KLKB1 (0.57) HSD17B10GRM2LMNAALDH1A1KLKB1
SCHEMBL553801 0.85 GRM2 (0.53) CYP1A2CYP3A4HSD17B10GRM2LMNA
SCHEMBL30739426 0.84 GRM2 (0.50) CYP1A2CYP3A4HSD17B10GRM2LMNA
SCHEMBL3093449 0.84 GRM2 (0.63) SMN1; SMN2MAPTKMT2AMAPK1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
EP-2144895-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2010-01-20 EP disclosed
EP-2118081-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc., (KR) 2009-11-18 EP disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2008087560-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF KAINOS MEDICINE, INC., (US) 2008-07-24 WO disclosed
WO-2008074824-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed
WO-2008074824-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 SMN1; SMN2 618/4885MAPT 3377/4885PLA2G1B 1893/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 SMN1; SMN2 2955/4885MAPT 3670/4885PLA2G1B 1702/4885

“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.