SCHEMBL21366093

SCHEMBL21366093

CC(C)(C)c1csc(-c2nnco2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.40
LMNA P02545 4/20 0.36
CCR4 P51679 3/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL21448963 0.79 NPC1 (0.32) NOTUMLMNATSHRMAPTHTT
SCHEMBL21547878 0.77 NOTUM (0.43) NOTUMLMNATSHRCDC7DBF4
SCHEMBL18157876 0.75 CCR4 (0.46) LMNACCR4CNR1CNR2TSHR
SCHEMBL21539002 0.73 NOTUM (0.44) NOTUMLMNACCR4TSHRCDC7
SCHEMBL21366090 0.70 LMNA (0.36) LMNACCR4CNR1CNR2MAPT
SCHEMBL21366186 0.70 NOTUM (0.36) NOTUMLMNATSHRCDC7DBF4
SCHEMBL21366191 0.70 NOTUM (0.40) NOTUMLMNATSHRCDC7DBF4
SCHEMBL17773148 0.67 CYP19A1 (0.46) LMNACCR4TSHRMAPTMEN1
SCHEMBL4766812 0.65 NOTUM (0.42) NOTUMLMNATSHRMAPTALDH1A1
SCHEMBL10183532 0.65 KDM4E (0.54) LMNACCR4CNR1CNR2MAPT

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 3 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-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 (3 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 NOTUM 3895/4885LMNA 3934/4885CCR4 398/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 NOTUM 2430/4885LMNA 3998/4885CCR4 487/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 NOTUM 4166/4885LMNA 3597/4885CCR4 318/4885

“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.