SCHEMBL3576401

SCHEMBL3576401

Cc1ccoc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
FLT3 P36888 3/20 0.38
AURKB Q96GD4 1/20 0.38
KDR P35968 8/20 0.38
NTRK1 P04629 1/20 0.38
PKM P14618 1/20 0.37
GRM1 Q13255 5/20 0.37
GRM4 Q14833 4/20 0.37
FLT4 P35916 2/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
BLM P54132 1/20 0.35

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
SCHEMBL3576399 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAARAB9AMEN1
SCHEMBL13283472 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EGAARAB9AMEN1
SCHEMBL3571497 0.84 AURKB (0.37) FLT3AURKBKDRNTRK1FLT4
SCHEMBL3571496 0.84 AURKB (0.37) FLT3AURKBKDRNTRK1FLT4
SCHEMBL3582381 0.83 MEN1 (0.43) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL3582379 0.83 MEN1 (0.43) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL3575748 0.83 ALDH1A1 (0.43) SMN1; SMN2KDM4ERAB9AMEN1NPC1
SCHEMBL3575747 0.83 ALDH1A1 (0.43) SMN1; SMN2KDM4ERAB9AMEN1NPC1
SCHEMBL3572738 0.83 KDR (0.45) KMT2AFLT3AURKBKDRNTRK1
SCHEMBL3572736 0.83 KDR (0.45) KMT2AFLT3AURKBKDRNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US claimed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO claimed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 SMN1; SMN2 4781/4885KDM4E 891/4885GAA 1736/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 SMN1; SMN2 4664/4885KDM4E 1393/4885GAA 1455/4885

“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.