SCHEMBL12348287

SCHEMBL12348287

N=C(N)c1ccc(-c2oc(-c3ccc(C(=N)N)cc3)c(C(=N)NO)c2C(=N)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 7/20 0.59
▸ PRMT1 Q99873 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TOP1 P11387 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TOP2A P11388 1/20 0.49
▸ TOP2B Q02880 1/20 0.49
▸ WDR5 P61964 1/20 0.44
▸ PRMT5 O14744 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MASP2 O00187 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ THPO P40225 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
SCHEMBL12348291 0.82 NQO2 (0.58) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL12348284 0.79 NQO2 (0.54) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL549141 0.74 NQO2 (1.00) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL8973288 0.70 WDR5 (0.80) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL394218 0.70 WDR5 (0.80) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL13573621 0.68 NQO2 (0.83) NQO2PRMT1ALDH1A1HPGDHSD17B10
Furamidine SCHEMBL549198 0.67 NQO2 (1.00) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL537030 0.67 LMNA (0.77) NQO2PRMT1ALDH1A1HPGDHSD17B10
Furamidine SCHEMBL7734063 0.66 TOP2A (1.00) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL4357250 0.66 NQO2 (0.96) NQO2PRMT1ALDH1A1HPGDHSD17B10

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 262/4885PRMT1 4691/4885ALDH1A1 1579/4885

“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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