SCHEMBL13831750

SCHEMBL13831750

CC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccnc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.48
SENP1 Q9P0U3 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MDM2 Q00987 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL20812798 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53L3MBTL1ATMPOLB
SCHEMBL13831826 0.89 SMN1; SMN2 (0.49) SMN1; SMN2TP53L3MBTL1ATMPOLB
SCHEMBL15983249 0.88 TP53 (0.57) TP53L3MBTL1ATMPOLBSENP1
SCHEMBL13831366 0.87 ALDH1A1 (0.58) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL13832099 0.85 TP53 (0.57) SMN1; SMN2TP53L3MBTL1ATMPOLB
SCHEMBL13831770 0.84 TSHR (0.59) SMN1; SMN2TP53L3MBTL1ATMTSHR
SCHEMBL13832313 0.83 SMN1; SMN2 (0.53) SMN1; SMN2TP53L3MBTL1TDP1LMNA
SCHEMBL13831105 0.83 POLB (0.66) SMN1; SMN2TP53L3MBTL1POLBTDP1
SCHEMBL13832100 0.83 TP53 (0.74) SMN1; SMN2TP53L3MBTL1ATMPOLB
SCHEMBL15983400 0.82 L3MBTL1 (0.67) TP53L3MBTL1ATMPOLBSENP1

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 10 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
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 SMN1; SMN2 4423/4885TP53 4604/4885L3MBTL1 1987/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4355/4885TP53 4651/4885L3MBTL1 1904/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 SMN1; SMN2 4493/4885TP53 4606/4885L3MBTL1 2164/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4423/4885TP53 4604/4885L3MBTL1 1987/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4404/4885TP53 4649/4885L3MBTL1 2061/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4404/4885TP53 4649/4885L3MBTL1 2061/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4355/4885TP53 4651/4885L3MBTL1 1904/4885

“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.