SCHEMBL14475643

SCHEMBL14475643

CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SLC27A1 Q6PCB7 2/20 0.43
ROCK2 O75116 1/20 0.43
PRKCA P17252 1/20 0.43
GRK2 P25098 1/20 0.43
GRK5 P34947 1/20 0.43

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
SCHEMBL13831227 0.89 GAA (0.55) ALDH1A1LMNAGAASMN1; SMN2NPC1
SCHEMBL13831714 0.88 HTT (0.40) ALDH1A1LMNAGAASMN1; SMN2NPC1
SCHEMBL13831744 0.87 NPSR1 (0.44) ALDH1A1MAPK1LMNAGAASMN1; SMN2
SCHEMBL13831745 0.86 GRK2 (0.43) ALDH1A1LMNAGAASMN1; SMN2NPC1
SCHEMBL13831781 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAGAASMN1; SMN2
SCHEMBL13832160 0.84 GAA (0.46) ALDH1A1MAPK1LMNAGAASMN1; SMN2
SCHEMBL13832308 0.84 LMNA (0.55) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL13832120 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1LMNAGAASMN1; SMN2
SCHEMBL13831037 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAGAASMN1; SMN2
SCHEMBL14475275 0.82 LMNA (0.67) ALDH1A1MAPK1LMNAGAASMN1; 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-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-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

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 3579/4885MAPK1 1791/4885LMNA 4714/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPK1 1868/4885LMNA 4708/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885MAPK1 1738/4885LMNA 4737/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885MAPK1 1791/4885LMNA 4714/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPK1 1761/4885LMNA 4745/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPK1 1761/4885LMNA 4745/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPK1 1868/4885LMNA 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.