SCHEMBL14247166

SCHEMBL14247166

Fc1c(Cl)cc(Br)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
AHR P35869 4/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 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
SCHEMBL6600235 0.86 NMT1 (0.42) NMT1CYP3A4TSHRTDP1AHR
SCHEMBL7935640 0.80 TDP1 (0.47) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL18302718 0.79 GAA (0.32) AHRKDM1AKDM1B
SCHEMBL796033 0.79 ALDH1A1 (0.41) CYP3A4TSHRAHRKDM1AKDM1B
SCHEMBL14956328 0.79 NMT1 (0.38) NMT1TDP1KDM1AKDM1B
SCHEMBL30543313 0.79 GAA (0.32) AHRKDM1AKDM1B
SCHEMBL8529116 0.76 KDM1A (0.35) AHRKDM1AKDM1B
SCHEMBL13550057 0.75 NMT1 (0.35) NMT1
SCHEMBL16929987 0.75 NMT1 (0.35) NMT1CYP3A4TSHRTDP1GABRA1
SCHEMBL21225128 0.75 GAA (0.38) NMT1CYP3A4TSHRAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322668-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-10-24 US disclosed
EP-3404028-A1 METHODS OF MAKING ANTIMICROBIAL COMPOUNDS Melinta Therapeutics, Inc. (US) 2018-11-21 EP disclosed
US-9937183-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2018-04-10 US disclosed
EP-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed
US-20160220568-A1 Antimicrobial Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2016-08-04 US disclosed
US-20160220568-A1 Antimicrobial Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2016-08-04 US disclosed
US-20160214988-A1 Antimicrobial Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2016-07-28 US disclosed
US-20160214988-A1 Antimicrobial Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2016-07-28 US disclosed
US-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
WO-2015035421-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 WO disclosed
WO-2015035426-A1 ANTIMICROBIAL COMPUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 WO disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 US disclosed
EP-2697229-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2014-02-19 EP disclosed
WO-2012173689-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2012-12-20 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 (4 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-20190322668-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT NMT1 1319/4885CYP3A4 1470/4885TSHR 4385/4885
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT NMT1 1319/4885CYP3A4 1470/4885TSHR 4385/4885
US-20160214988-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT NMT1 1352/4885CYP3A4 1421/4885TSHR 4467/4885
US-20160220568-A1 Antimicrobial Compounds and Methods of Making and Using the Same GPX4, LPO, GPX1 NMT1 3789/4885CYP3A4 1982/4885TSHR 3286/4885

“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.