SCHEMBL13832144

SCHEMBL13832144

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPK1 P28482 3/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 2/20 0.63
TSHR P16473 5/20 0.62
POLB P06746 2/20 0.62
USP2 O75604 1/20 0.62
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 1/20 0.60
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.58
SENP1 Q9P0U3 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
SCHEMBL13832139 0.93 MAPK1 (0.66) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL13832140 0.91 ALDH1A1 (0.67) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL15983398 0.91 ALDH1A1 (0.80) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL13832092 0.90 ALDH1A1 (0.68) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL13831528 0.89 TP53 (0.74) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL3903371 0.89 LMNA (0.69) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL13831725 0.88 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL13831531 0.88 ALDH1A1 (0.67) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL14475632 0.87 LMNA (0.72) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL3903378 0.86 MAPT (0.65) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2

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 ALDH1A1 3579/4885MAPK1 1791/4885LMNA 4714/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPK1 1868/4885LMNA 4708/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885MAPK1 1738/4885LMNA 4737/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885MAPK1 1791/4885LMNA 4714/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPK1 1761/4885LMNA 4745/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPK1 1761/4885LMNA 4745/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPK1 1868/4885LMNA 4708/4885

“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.