SCHEMBL3582374

SCHEMBL3582374

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
PSMB2 P49721 1/20 0.47
CHEK2 O96017 2/20 0.44
KDR P35968 2/20 0.44
MCHR1 Q99705 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
PARP1 P09874 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
IKBKB O14920 1/20 0.40
GCGR P47871 1/20 0.40

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
SCHEMBL3572021 0.99 LTA4H (0.48) LTA4HPSMB1PSMB5PSMB2CHEK2
SCHEMBL3571532 0.96 KDM4E (0.48) LTA4HPSMB1PSMB5PSMB2CHEK2
SCHEMBL3582377 0.93 LTA4H (0.46) LTA4HPSMB1PSMB5PSMB2KDR
SCHEMBL3572031 0.92 LTA4H (0.47) LTA4HPSMB1PSMB5PSMB2KDR
SCHEMBL3571538 0.89 KDM4E (0.47) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL3575048 0.87 PDPK1 (0.43) KDR
SCHEMBL3567208 0.87 AKT2 (0.40) KDM4EALDH1A1
SCHEMBL3572525 0.85 GAA (0.40) PARP1
SCHEMBL3575792 0.85 HRH2 (0.40) HRH3KDM4EALDH1A1
SCHEMBL3574878 0.84 PDPK1 (0.41) KDRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LTA4H 3181/4885PSMB1 3258/4885PSMB5 3838/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 LTA4H 4276/4885PSMB1 4003/4885PSMB5 4360/4885

“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.