SCHEMBL13831663

SCHEMBL13831663

O=C(Nc1ccccc1)C(Sc1nnc(-c2cccnc2)[nH]1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42
PKM P14618 3/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDR P35968 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
F2 P00734 1/20 0.38
F12 P00748 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NAMPT P43490 1/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL13830967 0.90 MAPT (0.40) HPGDMAPTPTGS2POLBRAB9A
SCHEMBL20812806 0.90 MAPT (0.40) HPGDMAPTPTGS2POLBRAB9A
SCHEMBL13831777 0.89 TAAR1 (0.38) HPGDMAPTPKMPOLBNPC1
SCHEMBL13831689 0.86 HPGD (0.44) HPGDMAPTEGFRPTGS2PKM
SCHEMBL13831667 0.85 HPGD (0.45) HPGDMAPTEGFRPTGS2PKM
SCHEMBL13831051 0.84 HPGD (0.53) HPGDMAPTEGFRPTGS2PKM
SCHEMBL13831462 0.82 HPGD (0.36) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL13831686 0.80 EGFR (0.47) HPGDMAPTEGFRPTGS2PKM
SCHEMBL13831775 0.79 HPGD (0.43) HPGDMAPTEGFRPTGS2PKM
SCHEMBL18559242 0.79 KDM4E (0.41) HPGDMAPTPKMPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 US disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 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 (7 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4384/4885MAPT 1741/4885EGFR 2227/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 HPGD 4292/4885MAPT 2086/4885EGFR 2845/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 HPGD 4366/4885MAPT 1681/4885EGFR 2345/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4384/4885MAPT 1741/4885EGFR 2227/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 HPGD 4263/4885MAPT 2002/4885EGFR 2961/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4263/4885MAPT 2002/4885EGFR 2961/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4292/4885MAPT 2086/4885EGFR 2845/4885

“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.