SCHEMBL5018938

SCHEMBL5018938

CC(C)Cc1cccc(Oc2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
MGLL Q99685 1/20 0.43
GRM5 P41594 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
MAP4K4 O95819 1/20 0.40
CETP P11597 1/20 0.40
GRM2 Q14416 1/20 0.39
LOX P28300 1/20 0.39
PTGS2 P35354 1/20 0.39
DRD1 P21728 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
SCHEMBL5024643 0.83 TLR4 (0.47) TLR4TLR2MGLLGRM5FFAR4
SCHEMBL5018913 0.83 LTA4H (0.47) LOXL2GRM2PTGS2
SCHEMBL27234543 0.81 MGLL (0.46) TLR4TLR2MGLLGRM5FFAR4
SCHEMBL9538055 0.81 TAAR1 (0.56) TAAR1CETP
SCHEMBL1747080 0.80 MGLL (0.47) TLR4TLR2MGLLGRM5FFAR4
SCHEMBL27233574 0.80 TLR4 (0.47) TLR4TLR2MGLLGRM5FFAR4
SCHEMBL3294752 0.80 LOXL2 (0.62) TLR4TLR2MGLLGRM5FFAR4
SCHEMBL8174800 0.79 CETP (0.54) TAAR1CETP
SCHEMBL10224076 0.79 MAPK1 (0.43) TAAR1CETPGRM2
SCHEMBL12129555 0.79 TLR4 (0.56) TLR4TLR2GRM5FFAR4LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
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

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 TLR4 1291/4885TLR2 1718/4885TAAR1 4770/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 TLR4 3912/4885TLR2 3416/4885TAAR1 298/4885

“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.