SCHEMBL2183632

SCHEMBL2183632

NCC(N)Cc1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
NCF1 P14598 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
PDE10A Q9Y233 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL20676734 0.81 CYP1A2 (0.45) CYP1A2CYSLTR1CYSLTR2PDE10AALDH1A1
SCHEMBL7247476 0.80 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL14478292 0.80 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL14478261 0.80 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL7863689 0.79 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL1539349 0.79 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL19407459 0.77 GRIN2D (0.53) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL506666 0.77 CYSLTR1 (0.53) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL29899422 0.77 CYSLTR1 (0.53) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL7862715 0.76 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2

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 CYP1A2 360/4885CYSLTR1 4692/4885CYSLTR2 4607/4885

“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.