SCHEMBL13831908

SCHEMBL13831908

COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1)OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
GAA P10253 2/20 0.56
USP2 O75604 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MDM2 Q00987 1/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL13831362 0.94 TDP1 (0.59) TP53LMNASMN1; SMN2MAPTGAA
SCHEMBL7941803 0.93 TP53 (0.57) TP53LMNARAB9ASMN1; SMN2MAPT
SCHEMBL7939446 0.93 GAA (0.59) TP53LMNARAB9ASMN1; SMN2MAPT
SCHEMBL13832011 0.91 ALDH1A1 (0.61) TP53LMNASMN1; SMN2MAPTGAA
SCHEMBL15983367 0.91 NPC1 (0.54) TP53LMNARAB9ASMN1; SMN2MAPT
SCHEMBL13856863 0.91 TP53 (0.55) TP53LMNARAB9ASMN1; SMN2MAPT
SCHEMBL13831511 0.89 TP53 (0.53) TP53LMNARAB9ASMN1; SMN2MAPT
SCHEMBL7930229 0.88 GAA (0.64) TP53LMNAMAPTALOX15GAA
SCHEMBL13831385 0.87 HSD17B10 (0.66) LMNASMN1; SMN2MAPTALOX15USP2
SCHEMBL13830826 0.87 NPSR1 (0.67) TP53LMNAMAPTUSP2L3MBTL1

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 16 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
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-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 TP53 4604/4885LMNA 4714/4885RAB9A 3172/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TP53 4651/4885LMNA 4708/4885RAB9A 3082/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 TP53 4606/4885LMNA 4737/4885RAB9A 3129/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TP53 4604/4885LMNA 4714/4885RAB9A 3172/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TP53 4649/4885LMNA 4745/4885RAB9A 3052/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TP53 4649/4885LMNA 4745/4885RAB9A 3052/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TP53 4651/4885LMNA 4708/4885RAB9A 3082/4885

“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.