SCHEMBL14277

SCHEMBL14277

N=C(N)NCCCNCc1ccc(-n2cc3cc(-c4ccc(S(=O)(=O)N(Cc5ccc(Cl)c(Cl)c5)C5CCNCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
OXTR P30559 3/20 0.33
AVPR1A P37288 3/20 0.33
F10 P00742 1/20 0.33
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL13707 0.92 AVPR1B (0.35) AVPR1BOXTRAVPR1A
SCHEMBL14355 0.91 AVPR1B (0.38) AVPR1BPSEN1PSEN2APH1BNCSTN
SCHEMBL14523 0.90 AVPR1B (0.33) AVPR1BOXTRAVPR1A
SCHEMBL14031 0.86 AVPR1B (0.35) AVPR1B
SCHEMBL12061895 0.86 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14174 0.84 NAMPT (0.39)
SCHEMBL14233 0.83 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12062126 0.81 NAMPT (0.35)
SCHEMBL12061821 0.81 PRMT5 (0.33) AVPR1BPSEN1PSEN2APH1BNCSTN
SCHEMBL12061619 0.80 AVPR1B (0.35) AVPR1BOXTRAVPR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (2 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT AVPR1B 3493/4885PSEN1 4334/4885PSEN2 4503/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT AVPR1B 3493/4885PSEN1 4334/4885PSEN2 4503/4885

“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.