SCHEMBL21295030

SCHEMBL21295030

CCn1c(C=O)cc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 6/20 0.36
GAA P10253 3/20 0.36
RPS6KA5 O75582 1/20 0.36
PKM P14618 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL29846922 1.00 PTGER4 (0.43) PTGER4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL22855794 0.84 MAPT (0.40) KDM4EALDH1A1CYP1A2CYP2D6HTT
SCHEMBL21295050 0.76 PTGER4 (0.36) PTGER4KDM4E
SCHEMBL29847306 0.76 PTGER4 (0.36) PTGER4KDM4E
SCHEMBL15552546 0.75 KDM4E (0.43) PTGER4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4784169 0.73 PTGER4 (0.43) PTGER4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL12094825 0.73 CNR2 (0.44) KDM4EALDH1A1CYP1A2CYP2D6HTT
SCHEMBL13767381 0.72 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2CYP2D6HTT
SCHEMBL18247396 0.70 PTGER4 (0.45) PTGER4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL15553109 0.69 CYP2A6 (0.44) PTGER4CYP2D6RPS6KA5CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 WO disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 WO 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 PTGER4 386/4885KDM4E 608/4885ALDH1A1 2839/4885

“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.