SCHEMBL12348157

SCHEMBL12348157

Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCCC(=N)N

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.65
HRAS P01112 14/20 0.62
ESR1 P03372 13/20 0.62
ESR2 Q92731 13/20 0.62
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
ERBB2 P04626 1/20 0.37
PRKCA P17252 1/20 0.36

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
SCHEMBL14267762 0.94 TOP1 (0.74) TOP1HRASESR1ESR2KDM4E
Netropsin SCHEMBL197747 0.94 TOP1 (0.74) TOP1HRASESR1ESR2KDM4E
Netropsin SCHEMBL4953090 0.93 TOP1 (0.72) TOP1HRASESR1ESR2KDM4E
Netropsin SCHEMBL10408939 0.93 TOP1 (0.72) TOP1HRASESR1ESR2KDM4E
Netropsin SCHEMBL951644 0.92 TOP1 (0.71) TOP1HRASESR1ESR2KDM4E
SCHEMBL12348338 0.91 TOP1 (0.70) TOP1HRASESR1ESR2KDM4E
SCHEMBL19288091 0.87 TOP1 (0.62) TOP1HRASESR1ESR2KDM4E
Netropsin SCHEMBL4284668 0.83 TOP1 (0.60) TOP1HRASESR1ESR2KDM4E
SCHEMBL30469493 0.81 HRAS (0.79) TOP1HRASESR1ESR2KDM4E
SCHEMBL10693609 0.81 TOP1 (0.74) TOP1HRASESR1ESR2KDM4E

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 5 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-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 TOP1 734/4885HRAS 2178/4885ESR1 3170/4885

“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.