SCHEMBL13831107

SCHEMBL13831107

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(=O)OC)nc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.58
TSHR P16473 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SLC27A1 Q6PCB7 2/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 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
SCHEMBL13831118 0.90 LMNA (0.60) LMNATSHRNPSR1SLC27A1MAPT
SCHEMBL15983213 0.87 LMNA (0.63) LMNATSHRNPSR1MAPTALDH1A1
SCHEMBL13831724 0.87 NPSR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL13832153 0.86 SMN1; SMN2 (0.71) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL13831111 0.86 LMNA (0.65) LMNATSHRNPSR1MAPTALDH1A1
SCHEMBL13831135 0.85 ALDH1A1 (0.61) LMNATSHRNPSR1MAPTALDH1A1
SCHEMBL13831140 0.85 LMNA (0.61) LMNATSHRNPSR1MAPTALDH1A1
SCHEMBL13831169 0.85 LMNA (0.60) LMNATSHRNPSR1MAPTALDH1A1
SCHEMBL13831752 0.84 LMNA (0.59) LMNATSHRNPSR1MAPTALDH1A1
SCHEMBL13831145 0.84 ALDH1A1 (0.62) LMNATSHRNPSR1MAPTALDH1A1

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 14 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
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 CYP1A2 3818/4885CYP3A4 3922/4885CYP2C9 4491/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP1A2 3935/4885CYP3A4 3964/4885CYP2C9 4563/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 CYP1A2 3623/4885CYP3A4 3707/4885CYP2C9 4393/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP1A2 3818/4885CYP3A4 3922/4885CYP2C9 4491/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP1A2 3716/4885CYP3A4 3737/4885CYP2C9 4462/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP1A2 3716/4885CYP3A4 3737/4885CYP2C9 4462/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP1A2 3935/4885CYP3A4 3964/4885CYP2C9 4563/4885

“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.