SCHEMBL3591944

SCHEMBL3591944

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
KMT2A Q03164 2/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 1/20 0.58
ALKBH1 Q13686 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PLA2G1B P04054 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL4019778 0.85 HSD17B10 (0.72) HSD17B10KMT2ATDP1L3MBTL1POLB
SCHEMBL1912400 0.85 HSD17B10 (0.77) HSD17B10KMT2ATDP1L3MBTL1POLB
SCHEMBL19299982 0.83 HSD17B10 (0.65) HSD17B10TDP1L3MBTL1POLBALKBH1
SCHEMBL18816489 0.82 HSD17B10 (0.63) HSD17B10KMT2ATDP1L3MBTL1POLB
SCHEMBL553971 0.82 HSD17B10 (0.63) HSD17B10TDP1L3MBTL1POLBALKBH1
SCHEMBL3606832 0.82 SMN1; SMN2 (0.57) HSD17B10KMT2ATSHRMAPK1TDP1
SCHEMBL14692463 0.82 L3MBTL1 (0.71) HSD17B10KMT2ATDP1L3MBTL1POLB
SCHEMBL553830 0.82 L3MBTL1 (0.62) HSD17B10TDP1L3MBTL1POLBALKBH1
SCHEMBL948453 0.81 HSD17B10 (0.61) HSD17B10KMT2ATDP1L3MBTL1POLB
SCHEMBL949903 0.81 HSD17B10 (0.61) HSD17B10MAPK1TDP1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 HSD17B10 326/4885KMT2A 3500/4885TSHR 4213/4885

“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.