SCHEMBL21366416

SCHEMBL21366416

COC(=O)c1nnc(-c2nsc(C(C)(C)C)n2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAF1 P04049 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
SCHEMBL25145240 0.82 LMNA (0.33) F2KMT2AMAPTHSD17B10KDM4E
SCHEMBL25145226 0.81 ADORA3 (0.35) KMT2AMAPTHSD17B10KDM4EALDH1A1
SCHEMBL21547858 0.78 LMNA (0.34) HSD17B10ALDH1A1LMNA
SCHEMBL21538913 0.76 F2 (0.33) F2KMT2AMAPTHSD17B10
SCHEMBL21366197 0.75 KMT2A (0.39) F2KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL21366308 0.73 HSD17B10 (0.35) F2KMT2AMAPTHSD17B10KDM4E
SCHEMBL21366409 0.71 CES1 (0.32) HSD17B10KDM4EALDH1A1RAF1
SCHEMBL21366406 0.71 CES1 (0.34) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL25144923 0.70 NPSR1 (0.32) F2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL21366414 0.70 NPSR1 (0.39) F2KMT2AMAPTHSD17B10KDM4E

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-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 (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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 F2 4310/4885KMT2A 1490/4885MAPT 4875/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 F2 4315/4885KMT2A 1445/4885MAPT 4863/4885

“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.