SCHEMBL21366414

SCHEMBL21366414

COC(=O)c1nsc(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
RAF1 P04049 3/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.32
HSD17B10 Q99714 2/20 0.32
F2 P00734 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 4/20 0.31
NPC1 O15118 2/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RAB9A P51151 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
SCHEMBL21366413 0.78 CYP3A4 (0.36) ALDH1A1MAPTKDM4EKMT2ANPC1
SCHEMBL21366422 0.76 SMN1; SMN2 (0.41) MAPTKDM4EKMT2ANPC1MEN1
SCHEMBL25605109 0.75 NPSR1 (0.43) NPSR1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL20320394 0.75 NPSR1 (0.43) NPSR1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL7915881 0.73 NPSR1 (0.41) NPSR1ALDH1A1MAPTHSD17B10F2
SCHEMBL10838902 0.73 NPSR1 (0.41) NPSR1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL5391630 0.73 NPSR1 (0.41) NPSR1ALDH1A1MAPTHSD17B10F2
SCHEMBL21366056 0.72 NPSR1 (0.40) NPSR1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL21366409 0.71 CES1 (0.32) NPSR1RAF1ALDH1A1HSD17B10KDM4E
SCHEMBL21366406 0.71 CES1 (0.34) NPSR1RAF1ALDH1A1MAPTKDM4E

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 NPSR1 157/4885RAF1 739/4885ALDH1A1 488/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 NPSR1 104/4885RAF1 1224/4885ALDH1A1 630/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 NPSR1 178/4885RAF1 647/4885ALDH1A1 488/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 NPSR1 104/4885RAF1 1224/4885ALDH1A1 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.