SCHEMBL22829620

SCHEMBL22829620

CCn1c(C(=O)O)cc2c(C)csc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.42
ADORA2B P29275 1/20 0.35
POLB P06746 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 3/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.34
PKM P14618 1/20 0.34
DAO P14920 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
CCR2 P41597 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
KDM1A O60341 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
SCHEMBL21295038 0.84 TSHR (0.43) POLBTDP1HSD17B10RAB9AKDM4E
SCHEMBL21295044 0.74 ADORA2B (0.34) ADORA2B
SCHEMBL4957913 0.71 GPR35 (0.50) GPR35POLBL3MBTL1HSD17B10KDM4E
SCHEMBL2330722 0.70 GPR35 (0.50) GPR35POLBL3MBTL1HSD17B10KDM4E
SCHEMBL699819 0.69 GPR35 (0.53) GPR35POLBL3MBTL1KDM4EPKM
SCHEMBL8330002 0.66 GPR35 (0.53) GPR35POLBHSD17B10KDM4EPKM
SCHEMBL1919417 0.65 GPR35 (0.47) GPR35KDM4ECCR2MEN1KMT2A
SCHEMBL12466600 0.65 CCR2 (0.61) GPR35POLBHSD17B10KDM4EPKM
SCHEMBL3756685 0.64 POLB (0.68) POLBTDP1HSD17B10RAB9AKDM4E
SCHEMBL3750485 0.64 HSD17B10 (0.64) GPR35POLBHSD17B10KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 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 (1 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-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 GPR35 1841/4885ADORA2B 1178/4885POLB 544/4885

“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.