SCHEMBL13831790

SCHEMBL13831790

CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(F)(F)F)nc3)n2CC)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.60
▸ LMNA P02545 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MAPT P10636 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ POLB P06746 3/20 0.51
▸ PKM P14618 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ USP2 O75604 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
SCHEMBL13831982 0.91 ALDH1A1 (0.61) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831789 0.88 ALDH1A1 (0.63) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL15983220 0.88 ALDH1A1 (0.65) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831484 0.87 ALDH1A1 (0.67) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831680 0.87 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13832044 0.86 ALDH1A1 (0.59) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831717 0.84 ALDH1A1 (0.61) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831792 0.84 ALDH1A1 (0.61) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831451 0.84 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ENPSR1MAPT
SCHEMBL13831755 0.84 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ENPSR1MAPT

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 ALDH1A1 3579/4885LMNA 4714/4885KDM4E 3552/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885KDM4E 3562/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885LMNA 4737/4885KDM4E 3619/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885LMNA 4714/4885KDM4E 3552/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885KDM4E 3605/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885KDM4E 3605/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885KDM4E 3562/4885

“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.

Send feedback