SCHEMBL2170729

SCHEMBL2170729

O=Cc1ccc2c(F)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
CCR1 P32246 1/20 0.41
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TERT O14746 2/20 0.36
ERN1 O75460 1/20 0.36
TYMS P04818 1/20 0.36
C1R P00736 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL29952948 0.78 MAPT (0.47) RAB9AKDM4ETDP1MAPTCCR1
SCHEMBL29953541 0.78 ACHE (0.41) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL6664318 0.74 ADORA2A (0.38) RAB9ANPC1KDM4ELMNATDP1
SCHEMBL28449950 0.74 PDE10A (0.51) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL4818968 0.73 ALDH1A1 (0.62) RAB9ANPC1TDP1MAPTL3MBTL1
SCHEMBL1716529 0.72 CCR1 (0.63) RAB9ANPC1KDM4ELMNATDP1
SCHEMBL3338347 0.71 MAOA (0.40) RAB9ANPC1TDP1PDE10ATYMS
SCHEMBL31756394 0.71 PDE7A (0.36) LMNAMAPTPDE10ATYMSC1R
SCHEMBL13760147 0.71 ADORA2A (0.36) RAB9ANPC1KDM4ELMNATDP1
SCHEMBL22509627 0.71 BACE1 (0.60) TYMSADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346862-B1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP disclosed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B RAB9A 2671/4885NPC1 3697/4885KDM4E 1816/4885

“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.