SCHEMBL21998506

SCHEMBL21998506

CC(C)C(=O)NC(=N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
S1PR3 Q99500 13/20 0.49
S1PR4 O95977 4/20 0.49
GAA P10253 1/20 0.47
S1PR2 O95136 1/20 0.47
S1PR1 P21453 4/20 0.45
S1PR5 Q9H228 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10814700 0.80 TSHR (0.54) ALDH1A1HPGDRAB9ASMN1; SMN2S1PR3
SCHEMBL12339108 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL20194121 0.80 F2 (0.46) ALDH1A1RAB9ASMN1; SMN2NPSR1S1PR3
Hydrochloric Acid SCHEMBL3347484 0.78 ALDH1A1 (0.53) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL17734061 0.78 CES1 (0.46) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL7873124 0.77 CES1 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2S1PR3
SCHEMBL28445536 0.77 ALDH1A1 (0.51) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL17664363 0.77 S1PR3 (0.52) S1PR3S1PR4S1PR2S1PR1S1PR5
SCHEMBL3198029 0.76 F2 (0.50) ALDH1A1HPGDSMN1; SMN2S1PR3S1PR4
SCHEMBL3069331 0.75 ALDH1A1 (0.55) ALDH1A1RAB9AS1PR3S1PR4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993439-B2 Mesoionic imidazopyridines as insecticides BAYER AKTIENGESELLSCHAFT (DE) 2021-05-04 US disclosed
US-20200146292-A1 MESOIONIC IMIDAZOPYRIDINES AS INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-05-14 US 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 (2 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-10993439-B2 Mesoionic imidazopyridines as insecticides DDT, CHRM1, GRM1 ALDH1A1 1534/4885HPGD 2657/4885HTT 1372/4885
US-20200146292-A1 MESOIONIC IMIDAZOPYRIDINES AS INSECTICIDES DDT, CHRM1, GRM1 ALDH1A1 1534/4885HPGD 2657/4885HTT 1372/4885

“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.