SCHEMBL21366409

SCHEMBL21366409

COC(=O)c1nnc(-c2nsc(C(C)(C)C)n2)o1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PKM P14618 1/20 0.31
RAF1 P04049 2/20 0.30

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
SCHEMBL21547859 0.81 ALDH1A1 (0.35) CES1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21547850 0.78 ALDH1A1 (0.32) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21366188 0.75 CNR2 (0.32) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL21366195 0.74 CFTR (0.37) CES1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21366309 0.73 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21366406 0.72 CES1 (0.34) CES1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL21366416 0.71 F2 (0.34) KDM4EALDH1A1HSD17B10RAF1
SCHEMBL21366414 0.71 NPSR1 (0.39) KDM4EALDH1A1HSD17B10SMN1; SMN2NPSR1
SCHEMBL21547807 0.70 ALDH1A1 (0.35) CES1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21366255 0.69 PIK3CG (0.41) CES1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547698-B2 Aryl hydrocarbon receptor modulators ARIAGEN, INC. (US) 2023-01-10 US disclosed
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR PHARMACEUTICALS, INC. 2019-10-31 US disclosed
US-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 US disclosed
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 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 (4 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 CES1 1597/4885KDM4E 2566/4885ALDH1A1 488/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 CES1 884/4885KDM4E 2197/4885ALDH1A1 630/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 CES1 1476/4885KDM4E 2472/4885ALDH1A1 488/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 CES1 884/4885KDM4E 2197/4885ALDH1A1 630/4885

“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.