SCHEMBL1421481

SCHEMBL1421481

O=c1[nH]c2cc(-c3noc(-c4ccc(Cl)nc4)n3)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CASP3 P42574 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NOS3 P29474 3/20 0.45
NOS1 P29475 3/20 0.45
NOS2 P35228 3/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRA2A P08913 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PSMD11 O00231 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TP53 P04637 2/20 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
SCHEMBL1423285 0.81 CHRNB2 (0.57) MAPTNPC1RAB9ASMN1; SMN2PDE3B
SCHEMBL1423437 0.77 NPC1 (0.57) MAPTNPC1RAB9ASMN1; SMN2PDE3B
SCHEMBL18292543 0.74 NPC1 (0.62) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL66168 0.70 RAB9A (0.71) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL60681 0.70 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL12797809 0.70 NAPRT (0.54) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL23524284 0.69 MAPT (0.43) MAPTPDE3BPDE3ANOS3NOS1
SCHEMBL30355795 0.69 MAPT (0.43) MAPTPDE3BPDE3ANOS3NOS1
SCHEMBL12619197 0.69 S1PR1 (0.68) S1PR1
SCHEMBL1423560 0.68 NPC1 (0.58) MAPTNPC1RAB9ASMN1; SMN2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US claimed
EP-2297140-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-03-23 EP claimed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US claimed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO claimed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US claimed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
EP-2297140-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-03-23 EP disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 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-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 MAPT 1555/4885NPC1 2912/4885RAB9A 2342/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 MAPT 2963/4885NPC1 1201/4885RAB9A 4444/4885

“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.