SCHEMBL2042864

SCHEMBL2042864

COC(=O)c1cn(CC(F)(F)c2ccccc2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.71
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 5/20 0.58
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
BRD4 O60885 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
CNR1 P21554 2/20 0.53
CNR2 P34972 1/20 0.50

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
SCHEMBL31429438 0.88 NR4A2 (0.76) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL2035739 0.85 KDM4E (0.56) NR4A2L3MBTL1LMNAMAPTKMT2A
SCHEMBL1855462 0.83 NR4A2 (1.00) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL15882147 0.82 NR4A2 (0.72) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL31346908 0.81 GAA (0.79) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL2430574 0.80 NR4A2 (0.72) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL2039772 0.80 L3MBTL1 (0.68) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL6297494 0.79 NR4A2 (0.76) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL19675353 0.79 NR4A2 (0.67) NR4A2GAAL3MBTL1TSHRLMNA
SCHEMBL6984456 0.78 NR4A2 (0.78) NR4A2GAAL3MBTL1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NR4A2 3953/4885GAA 277/4885L3MBTL1 4194/4885

“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.