SCHEMBL6295392

SCHEMBL6295392

O=[N+]([O-])c1ccc2c(c1)CCSC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 5/20 0.50
▸ ADRA2A P08913 4/20 0.50
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ TDP2 O95551 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL30709850 0.81 PNMT (0.65) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL9483063 0.81 PNMT (0.65) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL8762150 0.79 PNMT (0.50) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL2083495 0.77 PNMT (0.61) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL1715396 0.77 PNMT (0.61) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL467557 0.76 PNMT (0.59) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL467503 0.74 PNMT (0.57) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL717840 0.73 PNMT (0.81) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL2061267 0.73 PNMT (0.56) PNMTADRA2AMAPTLMNAMEN1
SCHEMBL1098412 0.71 TDP2 (0.51) PNMTADRA2AMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 4476/4885MAPT 4357/4885
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885MAPT 4357/4885
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885MAPT 4357/4885

“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.

Send feedback