SCHEMBL5023935

SCHEMBL5023935

CCc1ccccc1Oc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
SLC1A5 Q15758 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
NISCH Q9Y2I1 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
P2RY1 P47900 1/20 0.42
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
P2RX7 Q99572 1/20 0.41
OXTR P30559 1/20 0.41
GRM5 P41594 1/20 0.40
ADRA2A P08913 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
SCHEMBL27290163 0.82 KDM4E (0.51) KDM4ESLC1A5PDE4APDE4BPDE4C
SCHEMBL8777954 0.82 KDM4E (0.51) KDM4ESLC1A5PDE4APDE4BPDE4C
SCHEMBL8287033 0.82 KDM4E (0.51) KDM4ESLC1A5P2RX7
SCHEMBL6827514 0.82 KDM4E (0.51) KDM4ESLC1A5SLC6A2SLC6A4PDE4A
SCHEMBL24018801 0.81 SLC6A4 (0.53) KDM4ESLC1A5SLC6A2SLC6A4SLC6A3
SCHEMBL5018822 0.81 KDM4E (0.47) KDM4ESLC1A5PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL3291564 0.81 KDM4E (0.50) KDM4ESLC1A5HPGDP2RX7
SCHEMBL11138427 0.80 KDM4E (0.66) KDM4ESLC1A5L3MBTL1PDE4APDE4B
SCHEMBL4611564 0.80 CXCL8 (0.56) KDM4ESLC1A5L3MBTL1MAPTPDE4A
SCHEMBL11785007 0.79 MAPT (0.41) KDM4ESLC1A5L3MBTL1MAPTNPSR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 3505/4885SLC1A5 260/4885L3MBTL1 1868/4885

“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.