SCHEMBL13831998

SCHEMBL13831998

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 3/20 0.53
ALDH1A1 P00352 5/20 0.53
USP2 O75604 3/20 0.53
KDM4E B2RXH2 2/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
HCRTR1 O43613 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.49
SLC27A1 Q6PCB7 1/20 0.49

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
SCHEMBL13831740 0.85 NPSR1 (0.57) NPSR1TSHRALDH1A1USP2LMNA
SCHEMBL13831727 0.84 NPSR1 (0.56) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13831805 0.83 NPSR1 (0.55) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13831653 0.82 NPSR1 (0.56) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13831168 0.82 NPSR1 (0.56) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13831137 0.82 NPSR1 (0.56) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13831779 0.82 NPSR1 (0.56) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13831114 0.81 NPSR1 (0.55) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13832086 0.81 NPSR1 (0.55) NPSR1TSHRALDH1A1USP2KDM4E
SCHEMBL13832128 0.81 NPSR1 (0.55) NPSR1TSHRALDH1A1USP2KDM4E

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 9 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-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 (3 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 41/4885TSHR 2971/4885ALDH1A1 3579/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885TSHR 2891/4885ALDH1A1 3549/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885TSHR 2976/4885ALDH1A1 3533/4885

“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.