SCHEMBL5018913

SCHEMBL5018913

CC(C)Cc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
GRM2 Q14416 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ADAMTS4 O75173 1/20 0.44
MAPK1 P28482 1/20 0.41
ACACB O00763 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ACACA Q13085 1/20 0.40
CHRM5 P08912 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAOB P27338 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL17891471 0.90 KDM4C (0.47) LTA4HPTGS2GRM2PGRADORA3
SCHEMBL5018938 0.83 TLR4 (0.44) PTGS2GRM2LOXL2
SCHEMBL5024073 0.81 PTGS2 (0.50) LTA4HPTGS2GRM2KDM4EADAMTS4
SCHEMBL11143982 0.80 PTGS2 (0.57) LTA4HPTGS2KDM4EMAPK1MEN1
SCHEMBL6821329 0.80 SLC2A1 (0.44) LTA4HADAMTS4ACACBLOXL2MAOB
SCHEMBL6479944 0.80 LTA4H (0.44) LTA4HPTGS2GRM2ADAMTS4PDE10A
SCHEMBL6479951 0.80 LTA4H (0.44) LTA4HPTGS2GRM2ADAMTS4PDE10A
SCHEMBL10643745 0.78 LTA4H (0.47) LTA4HPTGS2GRM2ADORA3KDM4E
SCHEMBL12261852 0.78 NPC1 (0.50) LTA4HPTGS2GRM2KDM4EADAMTS4
SCHEMBL645337 0.78 PTGS2 (0.50) LTA4HPTGS2GRM2KDM4EADAMTS4

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-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 LTA4H 3098/4885PTGS2 2374/4885GRM2 4614/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 LTA4H 3098/4885PTGS2 2374/4885GRM2 4614/4885

“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.