SCHEMBL13523391

SCHEMBL13523391

IC1=Nc2ccccc2CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ACHE P22303 5/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL4199895 0.74 NOS3 (0.59) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL5958858 0.74 NOS3 (0.59) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL13523420 0.73 NOS3 (0.57) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2075410 0.73 NOS3 (1.00) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2230501 0.73 NOS3 (0.57) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL30681225 0.73 NOS3 (0.57) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2127063 0.73 NOS3 (0.57) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL14153565 0.73 NOS3 (0.57) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL688175 0.72 NOS3 (0.56) NOS3NOS1NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL8324907 0.71 NOS3 (0.96) NOS3NOS1NOS2NPC1RAB9A

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-2215093-B1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2011-12-14 EP disclosed
US-20100001635-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-01-07 US disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP disclosed
US-20090200926-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-08-13 US disclosed
EP-2075309-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-07-01 EP disclosed
EP-2067767-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 EP 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-20100001635-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, ILF2, L1CAM NOS3 401/4885NOS1 66/4885NOS2 43/4885
US-20090200926-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same NQO1, NDUFS2, NDUFS5 NOS3 661/4885NOS1 191/4885NOS2 261/4885

“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.