SCHEMBL21366089

SCHEMBL21366089

CC(C)(C)c1csc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.63
KDM4E B2RXH2 9/20 0.51
RAB9A P51151 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
GFER P55789 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
CYP19A1 P11511 1/20 0.50
MAPK1 P28482 2/20 0.48
NTMT1 Q9BV86 1/20 0.46
NPC1 O15118 4/20 0.46
ATM Q13315 1/20 0.46
CCR4 P51679 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.42
CCR1 P32246 2/20 0.42

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
SCHEMBL298722 0.86 KDM4E (0.54) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL6840490 0.77 PDE10A (1.00) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL30606303 0.77 PDE10A (1.00) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL1741719 0.77 CYP19A1 (0.79) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL13663963 0.75 ASIC3 (0.41) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL18157876 0.75 CCR4 (0.46) RAB9AALDH1A1MAPTHSD17B10MAPK1
SCHEMBL10025209 0.75 SREBF2 (0.54) KDM4ERAB9AALDH1A1MAPTPKM
SCHEMBL4436213 0.74 SREBF2 (0.67) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL252304 0.74 PDE10A (0.64) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL13020808 0.74 PDE10A (0.64) PDE10AKDM4ERAB9AALDH1A1MAPT

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 PDE10A 4170/4885KDM4E 2566/4885RAB9A 924/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 PDE10A 3478/4885KDM4E 2197/4885RAB9A 1954/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 PDE10A 4087/4885KDM4E 2472/4885RAB9A 901/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 PDE10A 3478/4885KDM4E 2197/4885RAB9A 1954/4885

“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.