SCHEMBL13831777

SCHEMBL13831777

O=C(Nc1ccccc1)C(Sc1nnc(-c2ccncc2)[nH]1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
ROCK1 Q13464 2/20 0.34
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34
ROCK2 O75116 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13830967 0.93 MAPT (0.40) TAAR1HTTLMNASMN1; SMN2HPGD
SCHEMBL20812806 0.93 MAPT (0.40) TAAR1HTTLMNASMN1; SMN2HPGD
SCHEMBL13831663 0.89 HPGD (0.42) HTTLMNAPKMHPGDMAPT
SCHEMBL13831462 0.86 HPGD (0.36) LMNAHPGDMAPTMEN1KMT2A
SCHEMBL13831839 0.85 TAAR1 (0.40) TAAR1HTTLMNASMN1; SMN2PKM
SCHEMBL13831869 0.84 TAAR1 (0.41) TAAR1HTTLMNASMN1; SMN2PKM
SCHEMBL13831090 0.83 SMN1; SMN2 (0.51) TAAR1HTTLMNASMN1; SMN2HPGD
SCHEMBL13832058 0.83 KDM4E (0.40) HTTLMNASMN1; SMN2PKMHPGD
SCHEMBL13831401 0.82 KDM4E (0.41) TAAR1HTTLMNASMN1; SMN2PKM
SCHEMBL18559242 0.82 KDM4E (0.41) TAAR1HTTLMNASMN1; SMN2PKM

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 12 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-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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 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-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
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 TAAR1 40/4885HTT 3745/4885LMNA 4714/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TAAR1 43/4885HTT 3893/4885LMNA 4708/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 TAAR1 39/4885HTT 3740/4885LMNA 4737/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TAAR1 40/4885HTT 3745/4885LMNA 4714/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TAAR1 42/4885HTT 3893/4885LMNA 4745/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TAAR1 42/4885HTT 3893/4885LMNA 4745/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TAAR1 43/4885HTT 3893/4885LMNA 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.