SCHEMBL13832302

SCHEMBL13832302

CC(C)(Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.59
TSHR P16473 6/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 5/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 5/20 0.51
HTT P42858 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PPARG P37231 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
NR2E3 Q9Y5X4 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HPGD P15428 2/20 0.50
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49
USP2 O75604 1/20 0.48
CYP1A2 P05177 2/20 0.47

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
SCHEMBL13831390 0.90 ALDH1A1 (0.58) TSHRALDH1A1LMNAMAPTKMT2A
SCHEMBL13831037 0.87 ALDH1A1 (0.53) TSHRALDH1A1LMNAMAPTKMT2A
SCHEMBL13832039 0.86 ALDH1A1 (0.62) TSHRALDH1A1MAPTKMT2AHTT
SCHEMBL13831814 0.85 ALDH1A1 (0.47) CPB1TSHRALDH1A1LMNAMAPT
SCHEMBL13831387 0.83 HSD17B10 (0.48) TSHRALDH1A1LMNAMAPTKMT2A
SCHEMBL13830815 0.83 ATM (0.62) TSHRALDH1A1KMT2AHTTNPSR1
SCHEMBL13832334 0.82 ALDH1A1 (0.57) CPB1TSHRALDH1A1LMNAMAPT
SCHEMBL22046963 0.81 NPSR1 (0.58) CPB1TSHRALDH1A1LMNAMAPT
SCHEMBL13832066 0.81 CPB1 (0.73) CPB1TSHRALDH1A1LMNAMAPT
SCHEMBL13831953 0.81 ALDH1A1 (0.58) TSHRALDH1A1LMNAMAPTKMT2A

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 CPB1 3563/4885TSHR 2971/4885ALDH1A1 3579/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 CPB1 3581/4885TSHR 2891/4885ALDH1A1 3549/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CPB1 3558/4885TSHR 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.