SCHEMBL1421647

SCHEMBL1421647

Fc1cccc(-c2nc(-c3cncnc3)no2)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.56
▸ NPC1 O15118 12/20 0.56
▸ SMN1; SMN2 Q16637 9/20 0.56
▸ NFKB1 P19838 4/20 0.56
▸ NFKB2 Q00653 4/20 0.56
▸ RELA Q04206 4/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ LMNA P02545 2/20 0.51
▸ MAOA P21397 1/20 0.48
▸ BLVRB P30043 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ TP53 P04637 3/20 0.48

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
SCHEMBL1423210 0.87 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1423283 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1422732 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1422705 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1422638 0.78 CHRNB2 (0.63) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL18253157 0.78 ADRA1A (0.43) MAPTATM
Hydrochloric Acid SCHEMBL1423329 0.77 CHRNB2 (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1422701 0.77 PTGES (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1424600 0.76 CHRNB2 (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1421295 0.76 TP53 (0.71) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 13 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
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 RAB9A 2342/4885NPC1 2912/4885SMN1; SMN2 1623/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 RAB9A 4444/4885NPC1 1201/4885SMN1; SMN2 2521/4885

“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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