SCHEMBL1712671

SCHEMBL1712671

NC[C@@H]1Cn2c(=O)ccc3nccc1c32

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PTK2B Q14289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL1712374 1.00 KCNH2 (0.32) KCNH2NPC1TP53MAPTRAB9A
SCHEMBL1724100 0.86 GSK3B (0.33) KCNH2HTR1A
SCHEMBL1723660 0.81 NPC1 (0.33) NPC1TP53MAPTRAB9APTK2B
SCHEMBL1712217 0.81 NPC1 (0.33) NPC1TP53MAPTRAB9APTK2B
SCHEMBL3546754 0.80 KCNH2 (0.41) KCNH2
SCHEMBL1712408 0.79 HTR1A (0.46) KCNH2HTR1A
SCHEMBL1712080 0.78 JAK2 (0.32) KCNH2
SCHEMBL1712253 0.78 KCNH2 (0.31) KCNH2
SCHEMBL1723323 0.78 PRKCA (0.34) KCNH2HTR1A
SCHEMBL3349228 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 US disclosed
EP-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS 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 (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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 KCNH2 241/4885NPC1 2171/4885TP53 3912/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 KCNH2 206/4885NPC1 1979/4885TP53 4099/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 KCNH2 261/4885NPC1 1898/4885TP53 4228/4885

“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.