SCHEMBL12348342

SCHEMBL12348342

CC/N=C(/NCC)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HTT P42858 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
OGG1 O15527 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GSK3B P49841 2/20 0.36
MGLL Q99685 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 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
SCHEMBL3077142 0.83 L3MBTL1 (0.38) ALDH1A1MAPTPOLBHDAC1NPC1
Hydrochloric Acid SCHEMBL11878110 0.83 HTT (0.40) ALDH1A1MAPTPOLBCTDSP1HTT
Hydrochloric Acid SCHEMBL11878104 0.83 HTT (0.40) ALDH1A1MAPTPOLBCTDSP1HTT
Hydrochloric Acid SCHEMBL11873486 0.81 ALDH1A1 (0.40) ALDH1A1MAPTPOLBCTDSP1HTT
SCHEMBL4035794 0.81 CYP3A4 (0.31) CYP2C19CYP3A4
SCHEMBL4035792 0.81 CYP3A4 (0.31) CYP2C19CYP3A4
SCHEMBL3064720 0.81 ATM (0.41) ALDH1A1MAPTPOLBNPC1HPGD
SCHEMBL3064719 0.81 ATM (0.41) ALDH1A1MAPTPOLBNPC1HPGD
Hydrochloric Acid SCHEMBL28483887 0.80 OGG1 (0.48) ALDH1A1MAPTPOLBCTDSP1HTT
SCHEMBL18229944 0.77 TAS1R3 (0.41) ALDH1A1KDM4E

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 ALDH1A1 1579/4885MAPT 3910/4885POLB 1157/4885

“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.