SCHEMBL5024112

SCHEMBL5024112

CCc1c(C)nn(Cc2ccccc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
KDM4E B2RXH2 1/20 0.63
POLB P06746 3/20 0.58
BRD4 O60885 1/20 0.57
PTGDR2 Q9Y5Y4 9/20 0.56
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL11548099 0.85 GAA (0.67) GAAKDM4EPOLBBRD4PTGDR2
Bromide SCHEMBL29103135 0.85 GAA (0.62) GAAKDM4EPOLBBRD4PTGDR2
SCHEMBL5018862 0.82 GAA (0.59) GAAKDM4EPOLBBRD4PTGDR2
SCHEMBL19231119 0.82 GAA (0.54) GAAKDM4EPOLBBRD4PTGDR2
SCHEMBL509015 0.81 PTGDR2 (0.81) GAAPOLBPTGDR2
SCHEMBL12281117 0.80 KDM4E (0.69) GAAKDM4EPOLBBRD4PTGDR2
SCHEMBL4006704 0.80 POLB (0.58) GAAKDM4EPOLBPTGDR2NPC1
SCHEMBL11242635 0.78 GAA (0.62) GAAPOLBPTGDR2NPC1LMNA
SCHEMBL23402993 0.77 KDM4E (0.65) GAAKDM4EPOLBBRD4PTGDR2
SCHEMBL28355094 0.77 KDM4E (0.65) GAAKDM4EPOLBBRD4PTGDR2

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 3 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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GAA 67/4885KDM4E 3505/4885POLB 212/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GAA 67/4885KDM4E 3505/4885POLB 212/4885

“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.