SCHEMBL5131485

SCHEMBL5131485

O=[N+]([O-])c1ccc2c(c1)CCOC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.49
ADRA2A P08913 4/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TDP2 O95551 1/20 0.43
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
GRIN2B Q13224 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6291697 0.93 PNMT (0.53) PNMTADRA2ACA12CA1CA2
SCHEMBL2061267 0.89 PNMT (0.56) PNMTADRA2ACA12CA1CA2
SCHEMBL3213966 0.85 CA12 (0.51) PNMTADRA2ACA12CA1CA2
SCHEMBL9483063 0.79 PNMT (0.65) PNMTADRA2ACA12CA1CA2
SCHEMBL30709850 0.79 PNMT (0.65) PNMTADRA2ACA12CA1CA2
SCHEMBL1715396 0.76 PNMT (0.61) PNMTADRA2ACA12CA1CA2
SCHEMBL2083495 0.76 PNMT (0.61) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL29119476 0.76 PNMT (0.53) PNMTADRA2ATDP2ADRA2BADRA2C
SCHEMBL29119475 0.74 SIRT2 (0.50) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL467557 0.74 PNMT (0.59) PNMTADRA2ALMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
EP-1835918-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-09-26 EP disclosed
WO-2006074281-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-07-13 WO disclosed
US-6972286-B2 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA AND UPJOHN COMPANY (US) 2005-12-06 US disclosed
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-23 US disclosed
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-09 US disclosed
EP-1337530-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company (US) 2003-08-27 EP disclosed
US-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA & UPJOHN COMPANY 2002-09-19 US disclosed
WO-2002059115-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 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 (5 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-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885CA12 4434/4885
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885CA12 4434/4885
US-20080114016-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B PNMT 3069/4885ADRA2A 4235/4885CA12 4011/4885
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885CA12 4434/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN PNMT 4428/4885ADRA2A 4279/4885CA12 3814/4885

“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.