SCHEMBL13831782

SCHEMBL13831782

CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccncc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
ALPG P10696 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL19162360 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRHPGDNPC1
SCHEMBL13831781 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDRAB9AGAA
SCHEMBL13831153 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRHPGDGAA
SCHEMBL13831266 0.81 GAA (0.44) ALDH1A1SMN1; SMN2TSHRHPGDNPC1
SCHEMBL13831761 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRHPGDNPC1
SCHEMBL13832106 0.81 GAA (0.45) ALDH1A1SMN1; SMN2TSHRHPGDNPC1
SCHEMBL13831227 0.80 GAA (0.55) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL13832308 0.80 LMNA (0.55) ALDH1A1SMN1; SMN2TSHRHPGDGAA
SCHEMBL13831121 0.80 TSHR (0.45) ALDH1A1TSHRGAALMNAPOLB
SCHEMBL13831787 0.79 NPSR1 (0.44) ALDH1A1SMN1; SMN2TSHRHPGDNPC1

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 ALDH1A1 3579/4885SMN1; SMN2 4423/4885TSHR 2971/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885SMN1; SMN2 4493/4885TSHR 2891/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885SMN1; SMN2 4404/4885TSHR 2976/4885

“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.