SCHEMBL13831797

SCHEMBL13831797

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(=O)O)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.68
ALDH1A1 P00352 5/20 0.59
LMNA P02545 3/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 3/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 2/20 0.58
USP2 O75604 4/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 1/20 0.57
HCRTR1 O43613 1/20 0.57
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
HTT P42858 1/20 0.54
KDM4E B2RXH2 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
SCHEMBL13831693 0.93 NPSR1 (0.67) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL22018916 0.92 ALDH1A1 (0.61) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL13831739 0.92 NPSR1 (0.65) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL15983240 0.91 NPSR1 (0.74) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL13831807 0.91 NPSR1 (0.64) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL13832249 0.88 NPSR1 (0.68) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL13831331 0.87 NPSR1 (0.88) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL15983234 0.87 NPSR1 (0.66) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL13832144 0.86 ALDH1A1 (0.67) NPSR1ALDH1A1LMNATP53MAPK1
SCHEMBL13832277 0.86 NPSR1 (0.65) NPSR1ALDH1A1LMNATP53MAPK1

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 NPSR1 41/4885ALDH1A1 3579/4885LMNA 4714/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3568/4885LMNA 4708/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885ALDH1A1 3549/4885LMNA 4737/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 41/4885ALDH1A1 3579/4885LMNA 4714/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885LMNA 4745/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885LMNA 4745/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3568/4885LMNA 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.