SCHEMBL3579596

SCHEMBL3579596

Cc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)/C3=C\O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 3/20 0.51
POLB P06746 3/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NTRK1 P04629 1/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
F2R P25116 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3579599 1.00 KMT2A (0.53) KMT2AMEN1KCNK3KCNK9POLB
SCHEMBL3577289 0.84 NTRK3 (0.53) POLBRAB9APKMSMN1; SMN2TP53
SCHEMBL3577292 0.84 NTRK3 (0.53) POLBRAB9APKMSMN1; SMN2TP53
SCHEMBL3580746 0.81 KDR (0.51) KMT2AMEN1ALDH1A1NTRK1MAPT
SCHEMBL3580742 0.81 KDR (0.51) KMT2AMEN1ALDH1A1NTRK1MAPT
SCHEMBL5429502 0.80 NTRK1 (0.49) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3582381 0.80 MEN1 (0.43) KMT2AMEN1KCNK3KCNK9POLB
SCHEMBL4702817 0.80 NTRK1 (0.49) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3582379 0.80 MEN1 (0.43) KMT2AMEN1KCNK3KCNK9POLB
SCHEMBL3567188 0.80 MAPT (0.46) KMT2AMEN1KCNK3KCNK9POLB

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-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
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
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 KMT2A 1670/4885MEN1 3831/4885KCNK3 1769/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KMT2A 1569/4885MEN1 2293/4885KCNK3 2162/4885

“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.