SCHEMBL2729772

SCHEMBL2729772

O=C1OCc2cc(Br)cc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 5/20 0.35
MAOB P27338 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
NMT1 P30419 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 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
SCHEMBL30400829 1.00 KDM4E (0.39) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL25256864 0.79 KDM4E (0.40) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL30833179 0.79 KDM4E (0.40) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL31496953 0.78 GAA (0.58) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL2221729 0.78 KDM4E (0.42) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL30496989 0.78 KDM4E (0.39) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL20231039 0.78 KDM4E (0.39) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL286550 0.78 KDM4E (0.39) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL2730080 0.76 KDM4E (0.40) KDM4EGAASMN1; SMN2MAOAMAOB
SCHEMBL31496832 0.75 CYP3A4 (0.53) KDM4EGAASMN1; SMN2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
EP-4304720-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
CN-116178347-A PRMT5-MTA inhibitors 苏州浦合医药科技有限公司 2023-05-30 CN disclosed
WO-2022192745-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-09-15 WO disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (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-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 KDM4E 644/4885GAA 3637/4885SMN1; SMN2 2715/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KDM4E 1908/4885GAA 4187/4885SMN1; SMN2 1934/4885

“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.