SCHEMBL2585841

SCHEMBL2585841

[CH2]CCSCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 3/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP2C19 P33261 1/20 0.37
GLS O94925 1/20 0.36
METAP2 P50579 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
SCHEMBL5144954 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9218659 0.82 TAAR1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9217829 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL10746622 0.80 TAAR1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5104616 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7029671 0.79 TAAR1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9220272 0.79 TAAR1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9212292 0.77 TAAR1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8305122 0.76 CYP2C19 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9215812 0.76 TAAR1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA CROP PROTECTION LLC (US) 2013-09-05 US disclosed
EP-2563118-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS Syngenta Participations AG (CH) 2013-03-06 EP disclosed
WO-2011134819-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-03 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 (1 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-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS DDT, AGO2, INF2 ALDH1A1 4499/4885SMN1; SMN2 948/4885NPC1 2554/4885

“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.