SCHEMBL2736507

SCHEMBL2736507

Cc1ccn(C)c(=S)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KDM6A O15550 1/20 0.42
KDM4A O75164 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM5C P41229 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
DOHH Q9BU89 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LPO P22079 1/20 0.35
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL4393848 0.76 LPO (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL23193918 0.73 LPO (0.35) KDM4ECA2ALDH1A1LPOMAPT
SCHEMBL9505269 0.73 KDM4E (0.52) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL6631925 0.70
SCHEMBL2736505 0.69 CHEK1 (0.41) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL1298184 0.68 KDM4E (0.57) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Dimethylamine SCHEMBL218292 0.68 CNR2 (0.42) KDM4EALDH1A1
SCHEMBL6058875 0.67
SCHEMBL6631894 0.65
SCHEMBL8912434 0.65 KDM4E (0.39) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R KDM4E 1679/4885KDM6A 1570/4885KDM4A 1509/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885KDM6A 2979/4885KDM4A 3480/4885

“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.