SCHEMBL20935124

SCHEMBL20935124

CC(C)CC(=O)Nc1cccc(CO)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.77
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
PTPN1 P18031 1/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CCNK O75909 1/20 0.41
DDB1 Q16531 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
GRM5 P41594 1/20 0.41
NPC1 O15118 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10082887 0.88 SMN1; SMN2 (0.77) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL20928548 0.85 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AALDH1A1CCNKDDB1
SCHEMBL13071962 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AGAALMNAALDH1A1
SCHEMBL13026590 0.81 SMN1; SMN2 (0.81) SMN1; SMN2RAB9APOLBALDH1A1MAPT
SCHEMBL19116581 0.81 SMN1; SMN2 (0.81) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL23619520 0.81 XIAP (0.49) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL19116580 0.81 SMN1; SMN2 (0.74) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL20935230 0.80 ADORA3 (0.48) SMN1; SMN2ADORA1ADORA3ADORA2AGAA
SCHEMBL27697741 0.79 KDM4E (0.57) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL20935120 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MAPTCCNK

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-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
WO-2019077344-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2019-04-25 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-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS BRI3BP, CYP3A4, CYP3A5 SMN1; SMN2 4506/4885ADORA1 3800/4885ADORA3 2109/4885

“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.