SCHEMBL3575747

SCHEMBL3575747

O=C(O)CCc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(NC(=O)c5cccs5)c4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TLK2 Q86UE8 2/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
MAPT P10636 3/20 0.41
JAK3 P52333 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
NTRK1 P04629 1/20 0.39
BCHE P06276 1/20 0.39
AURKB Q96GD4 1/20 0.39
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL3575748 1.00 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4ETLK2
SCHEMBL3574740 0.90 KCNK3 (0.47) ALDH1A1HPGDHSD17B10KDM4ETLK2
SCHEMBL3574743 0.90 KCNK3 (0.47) ALDH1A1HPGDHSD17B10KDM4ETLK2
SCHEMBL3577313 0.83 PKM (0.38) HPGDTLK2MEN1KMT2ATP53
SCHEMBL3577312 0.83 PKM (0.38) HPGDTLK2MEN1KMT2ATP53
SCHEMBL3576401 0.83 SMN1; SMN2 (0.41) KDM4EMAPTMEN1KMT2ANTRK1
SCHEMBL3576399 0.83 SMN1; SMN2 (0.41) KDM4EMAPTMEN1KMT2ANTRK1
SCHEMBL3571497 0.81 AURKB (0.37) TLK2NTRK1AURKB
SCHEMBL3572738 0.81 KDR (0.45) KMT2ANTRK1AURKB
SCHEMBL3572736 0.81 KDR (0.45) KMT2ANTRK1AURKB

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
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US 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-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US 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 ALDH1A1 2605/4885HPGD 2861/4885HSD17B10 4320/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 ALDH1A1 2379/4885HPGD 2495/4885HSD17B10 3930/4885

“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.