SCHEMBL4199977

SCHEMBL4199977

NC(c1ccccc1)(c1ccccc1)c1ccccc1CCBr

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.48
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 2/20 0.31
IDO1 P14902 2/20 0.31

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
SCHEMBL3111885 0.89 KCNN4 (0.46) KCNN4TDP1
SCHEMBL27669506 0.76 TDP1 (0.42) TDP1TAAR1IDO1
SCHEMBL3435481 0.76 KCNN4 (0.50) KCNN4TAAR1
SCHEMBL7263746 0.74 KIF11 (0.41) KCNN4TDP1TAAR1
SCHEMBL30252413 0.72 IDO1 (0.52) TDP1IDO1
SCHEMBL3126891 0.72 IDO1 (0.52) TDP1IDO1
Ammonia Solution, Strong SCHEMBL27704287 0.71 IDO1 (0.50) TDP1IDO1
SCHEMBL17938005 0.71 CHRM2 (0.48) KCNN4
SCHEMBL30600 0.70 TDP1 (0.55) TDP1TAAR1IDO1
SCHEMBL14830410 0.69 KCNN4 (0.43) KCNN4TDP1

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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
EP-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO 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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 KCNN4 2057/4885TDP1 4453/4885TAAR1 1749/4885

“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.