SCHEMBL316876

SCHEMBL316876

N#Cc1cc(-c2ccccc2)cc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 7/20 0.37
ABCC1 P33527 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL10253538 0.78 SLC22A2 (0.38) SLC22A2SLC22A1SLC22A3SLC6A4HDAC8
SCHEMBL6756098 0.72 RAB9A (0.46) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL31536953 0.71
SCHEMBL805958 0.71
SCHEMBL8886457 0.71 HDAC8 (0.36) HDAC8ALDH1A1
SCHEMBL18000465 0.71 SLC22A2 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL31408830 0.71 KDM4E (0.32) HDAC8ALDH1A1LMNAKDM4E
SCHEMBL31703320 0.71 HDAC8 (0.36) HDAC8ALDH1A1
SCHEMBL4934007 0.71 SLC22A2 (0.41) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL31751347 0.71 HDAC8 (0.32) HDAC8

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
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US 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 (2 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 SLC22A2 1998/4885SLC22A1 2191/4885SLC22A3 2072/4885
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 SLC22A2 3510/4885SLC22A1 3619/4885SLC22A3 3542/4885

“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.