SCHEMBL13831729

SCHEMBL13831729

CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
KMT2A Q03164 3/20 0.69
USP2 O75604 1/20 0.69
MAPK1 P28482 2/20 0.67
LMNA P02545 4/20 0.66
HTT P42858 1/20 0.66
RXFP1 Q9HBX9 1/20 0.65
CDC25A P30304 1/20 0.64
CDC25B P30305 1/20 0.64
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 3/20 0.61
NPC1 O15118 1/20 0.59
THRB P10828 1/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL13737637 0.91 KMT2A (0.75) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL13739253 0.90 ALDH1A1 (0.74) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL13831688 0.90 ALDH1A1 (0.66) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL18559062 0.90 ALDH1A1 (0.70) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL13737257 0.89 ALDH1A1 (0.70) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL18559116 0.89 KMT2A (0.70) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL13831474 0.89 MAPT (0.69) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL4216675 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AUSP2LMNARXFP1
SCHEMBL13737457 0.89 KMT2A (0.69) ALDH1A1KMT2AUSP2MAPK1LMNA
SCHEMBL15983257 0.88 POLB (0.71) ALDH1A1KMT2AMAPK1LMNAHTT

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-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
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 ALDH1A1 3579/4885KMT2A 4200/4885USP2 2348/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885USP2 2256/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885KMT2A 4216/4885USP2 2433/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885KMT2A 4200/4885USP2 2348/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885KMT2A 4264/4885USP2 2329/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885KMT2A 4264/4885USP2 2329/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885USP2 2256/4885

“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.