SCHEMBL13832007

SCHEMBL13832007

O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(F)cc1)Nc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
MEN1 O00255 1/20 0.77
GAA P10253 1/20 0.77
MAPT P10636 4/20 0.75
RECQL P46063 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 2/20 0.66
POLB P06746 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TSHR P16473 1/20 0.66
TP53 P04637 1/20 0.63
MDM2 Q00987 1/20 0.63
PTK2 Q05397 1/20 0.60
LMNA P02545 1/20 0.60
USP2 O75604 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL18559070 0.93 KMT2A (0.81) KMT2AMEN1GAAMAPTRECQL
SCHEMBL13831817 0.91 TP53 (0.74) KMT2AMEN1GAAMAPTRECQL
SCHEMBL13831964 0.90 KMT2A (0.73) KMT2AMEN1GAAMAPTRECQL
SCHEMBL13831342 0.89 MAPT (0.75) MAPTALDH1A1POLBTSHRTP53
SCHEMBL6412039 0.87 MAPT (0.72) KMT2AMEN1GAAMAPTRECQL
SCHEMBL18559045 0.86 MAPT (1.00) KMT2AMEN1GAAMAPTRECQL
SCHEMBL13831943 0.85 MAPT (0.70) KMT2AMEN1GAAMAPTRECQL
SCHEMBL15986565 0.85 MAPT (0.82) KMT2AMEN1GAAMAPTRECQL
SCHEMBL13831163 0.84 TP53 (0.65) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL15986464 0.83 RECQL (1.00) KMT2AMEN1GAAMAPTRECQL

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 15 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-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
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-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-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
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 KMT2A 4200/4885MEN1 1675/4885GAA 4325/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 KMT2A 4243/4885MEN1 1871/4885GAA 4349/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 KMT2A 4216/4885MEN1 1662/4885GAA 4268/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4200/4885MEN1 1675/4885GAA 4325/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 KMT2A 4264/4885MEN1 1865/4885GAA 4308/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4264/4885MEN1 1865/4885GAA 4308/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4243/4885MEN1 1871/4885GAA 4349/4885

“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.