SCHEMBL21066545

SCHEMBL21066545

COc1ccc(CNCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 1/20 0.52
CHRM2 P08172 1/20 0.51
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
GLA P06280 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL7652554 0.87 NPC1 (0.58) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4709745 0.86 PDCD1 (0.52) KMT2AMEN1ATMCHRM2NPC1
SCHEMBL21066539 0.86 PDCD1 (0.49) ATMEPHX2L3MBTL1CA1CA2
SCHEMBL4913978 0.85 EPHX2 (0.52) EPHX2NR1H4CA1CA2
SCHEMBL12310009 0.84 CA1 (0.47) ATML3MBTL1CA1CA2
SCHEMBL22452272 0.84 FPR3 (0.47) ATMNPC1RAB9AL3MBTL1CA1
SCHEMBL1724201 0.84 GAA (0.60) KMT2AMEN1CHRM2ALDH1A1KDM4E
SCHEMBL6076877 0.84 HPGD (0.49) ATMCHRM2ALDH1A1KDM4EL3MBTL1
SCHEMBL1587057 0.84 GLA (0.50) KMT2ACHRM2NPC1RAB9AGLA
SCHEMBL22605044 0.84 ATM (0.58) KMT2AMEN1ATMKDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 EP disclosed
US-20220324878-A1 IMIDAZOLIDIN-2-ONE COMPOUNDS AS PRMT5 MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-10-13 US disclosed
US-11365205-B2 Imidazolidin-2-one compounds as PRMT5 modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-06-21 US disclosed
CN-107304204-B Method for preparing N-heterocyclic compound 广东东阳光药业有限公司 2020-12-22 CN disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 US disclosed
CN-1889836-A Insecticidal n-(heteroarylalkyl)alkanediamine derivatives FMC CORP (US) 2007-01-03 CN 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-11365205-B2 Imidazolidin-2-one compounds as PRMT5 modulators PRMT5, PRMT1, PRMT7 KMT2A 60/4885MEN1 681/4885ATM 537/4885
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 KMT2A 1680/4885MEN1 4432/4885ATM 778/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 KMT2A 1680/4885MEN1 4432/4885ATM 778/4885
US-20220324878-A1 IMIDAZOLIDIN-2-ONE COMPOUNDS AS PRMT5 MODULATORS PRMT5, PRMT1, PRMT7 KMT2A 60/4885MEN1 681/4885ATM 537/4885

“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.