SCHEMBL545871

SCHEMBL545871

Nc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.58
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 2/20 0.48
PSMB1 P20618 3/20 0.47
PSMB5 P28074 3/20 0.47
PSMB2 P49721 3/20 0.47
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
BACE1 P56817 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL30063493 1.00 LTA4H (0.58) LTA4HPTGS2PTGS1HRH3KDM4E
SCHEMBL29968324 0.88 KDM4E (0.48) LTA4HKDM4EALDH1A1
SCHEMBL3542746 0.88 KDM4E (0.48) LTA4HKDM4EALDH1A1
SCHEMBL10104427 0.83 LTA4H (0.58) LTA4HPTGS2HRH3KDM4EPSMB1
SCHEMBL5127298 0.82 ALDH1A1 (0.49) LTA4HHRH3KDM4EKCNH2MCHR1
SCHEMBL18480195 0.81 LTA4H (0.55) LTA4HPTGS2PTGS1HRH3KDM4E
SCHEMBL5131681 0.81 KDM4E (0.43) LTA4HHRH3KDM4EKMT2AALDH1A1
SCHEMBL12130328 0.80 LTA4H (0.52) LTA4HPTGS2HRH3KDM4EPSMB1
SCHEMBL12130332 0.80 LTA4H (0.52) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL12130330 0.80 LTA4H (0.58) LTA4HPTGS2HRH3KDM4EPSMB1

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
CN-115340552-A Heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-11-15 CN disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 LTA4H 1568/4885PTGS2 636/4885PTGS1 650/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 LTA4H 3830/4885PTGS2 1449/4885PTGS1 1342/4885

“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.