SCHEMBL1421657

SCHEMBL1421657

Fc1cc(F)cc(-c2nc(-c3ccnnc3)no2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.57
▸ GRM5 P41594 7/20 0.55
▸ S1PR3 Q99500 4/20 0.53
▸ TP53 P04637 1/20 0.52
▸ CHRNB2 P17787 2/20 0.46
▸ CHRNA5 P30532 2/20 0.46
▸ CHRNA4 P43681 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1421516 0.87 TP53 (0.72) S1PR1GRM5S1PR3TP53CHRNB2
SCHEMBL1422778 0.86 S1PR1 (0.56) S1PR1GRM5S1PR3TP53CHRNB2
SCHEMBL1421385 0.86 S1PR1 (0.62) S1PR1S1PR3TP53CHRNB2CHRNA5
SCHEMBL1421533 0.82 CHRNB2 (0.68) S1PR1S1PR3TP53CHRNB2CHRNA5
Hydrochloric Acid SCHEMBL1422985 0.81 CHRNB2 (0.67) S1PR1S1PR3TP53CHRNB2CHRNA5
SCHEMBL1422727 0.80 CHRNB2 (0.73) S1PR1TP53CHRNB2CHRNA5CHRNA4
SCHEMBL1421660 0.78 S1PR1 (0.56) S1PR1S1PR3TP53CHRNB2CHRNA5
SCHEMBL1423198 0.77 S1PR1 (0.52) S1PR1S1PR3TP53CHRNB2CHRNA5
SCHEMBL1421279 0.75 CHRNB2 (0.81) S1PR1TP53CHRNB2CHRNA5CHRNA4
SCHEMBL1421813 0.75 CHRNB2 (0.81) S1PR1TP53CHRNB2CHRNA5CHRNA4

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
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
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 — — WO 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 S1PR1 1207/4885GRM5 125/4885S1PR3 1023/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 S1PR1 3160/4885GRM5 2491/4885S1PR3 2036/4885

“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.

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