SCHEMBL12348291

SCHEMBL12348291

CONC(=N)c1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1C(=N)NOC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 10/20 0.58
▸ ALDH1A1 P00352 1/20 0.46
▸ TOP1 P11387 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TOP2A P11388 1/20 0.45
▸ TOP2B Q02880 1/20 0.45
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ WDR5 P61964 1/20 0.41
▸ F2 P00734 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ PTGIR P43119 1/20 0.37

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
SCHEMBL12348284 0.84 NQO2 (0.54) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL12348287 0.82 NQO2 (0.59) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL549141 0.74 NQO2 (1.00) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL13573621 0.71 NQO2 (0.83) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL3504227 0.70 NQO2 (0.57) NQO2ALDH1A1TOP1HPGDCASP1
Pafuramidine SCHEMBL5143735 0.70 NQO2 (0.57) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL4357250 0.66 NQO2 (0.96) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL8973288 0.66 WDR5 (0.80) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL394218 0.66 WDR5 (0.80) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL8409290 0.66 CA1 (0.59) NQO2ALDH1A1TDP1PRSS1PRSS2

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-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-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-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
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 NQO2 262/4885ALDH1A1 1579/4885TOP1 734/4885

“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.

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