SCHEMBL21366422

SCHEMBL21366422

CCC(=O)c1nsc(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 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
SCHEMBL21366414 0.76 NPSR1 (0.39) SMN1; SMN2MEN1CYP1A2KMT2ANPC1
SCHEMBL21366413 0.76 CYP3A4 (0.36) SMN1; SMN2MEN1CYP1A2KMT2ANPC1
SCHEMBL13079756 0.67
SCHEMBL6977022 0.67 PTGS1 (0.37) SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL6123591 0.66
SCHEMBL21233395 0.65
SCHEMBL21366306 0.64 DPP4 (0.39) SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL21419241 0.64
SCHEMBL803125 0.63 CNR2 (0.31)
SCHEMBL21784168 0.61

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 SMN1; SMN2 4738/4885MEN1 4131/4885CYP1A2 276/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 SMN1; SMN2 4366/4885MEN1 4176/4885CYP1A2 125/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 SMN1; SMN2 4750/4885MEN1 4131/4885CYP1A2 243/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 SMN1; SMN2 4366/4885MEN1 4176/4885CYP1A2 125/4885

“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.