SCHEMBL12348255

SCHEMBL12348255

CCCCCc1ccc2[nH]c(CCc3nc4cc(CCCCC)ccc4[nH]3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TLR8 Q9NR97 3/20 0.44
MAPT P10636 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
SCHEMBL28878992 0.95 POLB (0.50) S1PR4S1PR1S1PR5POLBKMT2A
SCHEMBL12348250 0.92 S1PR4 (0.45) S1PR4S1PR1S1PR5POLBTLR8
SCHEMBL26554639 0.89 TLR8 (0.52) S1PR4S1PR1S1PR5TLR8MAPT
SCHEMBL8620324 0.85 GAA (0.55) NPC1RAB9AMAPT
SCHEMBL11416418 0.83 S1PR4 (0.48) S1PR4S1PR1S1PR5TLR8
SCHEMBL28878987 0.83 S1PR4 (0.61) S1PR4S1PR1S1PR5KMT2AMAPT
SCHEMBL10578214 0.82 POLB (0.45) POLBKMT2AMAPT
SCHEMBL9305960 0.82 S1PR4 (0.47) S1PR4S1PR1S1PR5TLR8
SCHEMBL9305638 0.82 S1PR4 (0.47) S1PR4S1PR1S1PR5TLR8
SCHEMBL11223673 0.81 TUBB4A (0.42)

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-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 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-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 S1PR4 3419/4885S1PR1 3244/4885S1PR5 3353/4885

“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.