SCHEMBL13831767

SCHEMBL13831767

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccnc(-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.65
ALDH1A1 P00352 7/20 0.63
LMNA P02545 6/20 0.63
TSHR P16473 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
USP2 O75604 2/20 0.63
RECQL P46063 1/20 0.63
NOD2 Q9HC29 1/20 0.63
MAPT P10636 2/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.61
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 2/20 0.58
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL13831705 0.91 NPSR1 (0.63) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15983246 0.90 NPSR1 (0.62) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL13831732 0.89 NPSR1 (0.61) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL13831751 0.88 NPSR1 (0.60) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL13831349 0.88 NPSR1 (0.60) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL13831677 0.88 NPSR1 (0.60) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL13831528 0.88 TP53 (0.74) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL13831706 0.87 NPSR1 (0.59) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15983240 0.87 NPSR1 (0.74) NPSR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15983398 0.87 ALDH1A1 (0.80) NPSR1ALDH1A1LMNATSHRSMN1; 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 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 41/4885ALDH1A1 3579/4885LMNA 4714/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885ALDH1A1 3549/4885LMNA 4737/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885LMNA 4745/4885

“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.