SCHEMBL21366413

SCHEMBL21366413

CNC(=O)c1nsc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
PLK1 P53350 1/20 0.32
KDM4E B2RXH2 3/20 0.31
RAB9A P51151 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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 0.78 NPSR1 (0.39) PKMKDM4ERAB9AALDH1A1NPC1
SCHEMBL21366422 0.76 SMN1; SMN2 (0.41) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL20320399 0.75 ALDH1A1 (0.34) CYP3A4POLBPLK1KDM4ERAB9A
SCHEMBL25093838 0.70 TLR7 (0.31) RAB9ANPC1
SCHEMBL2393111 0.67 HDAC2 (0.39) PLK1KDM4EALDH1A1HPGDKMT2A
SCHEMBL12321713 0.67 CNR2 (0.33) POLBPKMUSP2CNR2
SCHEMBL17664669 0.67 HDAC6 (0.41) PLK1ALDH1A1NPC1CYP1A2
SCHEMBL21133751 0.66 POLB (0.46) CYP3A4POLBPKMPLK1KDM4E
SCHEMBL10253784 0.66 HPGD (0.51) CYP3A4POLBKDM4ERAB9ANPC1
SCHEMBL6123591 0.65

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 CYP3A4 991/4885POLB 4386/4885PKM 4141/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 CYP3A4 394/4885POLB 3538/4885PKM 3907/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 CYP3A4 774/4885POLB 4371/4885PKM 4036/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 CYP3A4 394/4885POLB 3538/4885PKM 3907/4885

“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.