SCHEMBL3737008

SCHEMBL3737008

c1ccc(-c2noc(-c3ccncc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 1.00
NPC1 O15118 12/20 0.93
RAB9A P51151 12/20 0.93
MAPT P10636 5/20 0.93
NFKB1 P19838 2/20 0.93
NFKB2 Q00653 2/20 0.93
RELA Q04206 2/20 0.93
HSD17B10 Q99714 2/20 0.93
NR1H4 Q96RI1 2/20 0.81
ALDH1A1 P00352 4/20 0.75
TSHR P16473 2/20 0.75
HTT P42858 2/20 0.75
TP53 P04637 6/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HPGD P15428 2/20 0.65
KDM4E B2RXH2 1/20 0.65
PKM P14618 1/20 0.65
LMNA P02545 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL5959967 0.92 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL1473020 0.90 NR1H4 (1.00) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL13417120 0.88 NPC1 (0.79) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL321073 0.86 NR1H4 (0.91) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL17640602 0.86 NR1H4 (0.91) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL20968200 0.85 RAB9A (0.74) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL5959951 0.84 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL12895776 0.82 NR1H4 (0.83) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL13416880 0.82 NPC1 (0.73) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL2463534 0.81 SMN1; SMN2 (0.93) SMN1; SMN2NPC1RAB9AMAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
US-5712285-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME, LTD. (GB) 1998-01-27 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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D SMN1; SMN2 571/4885NPC1 1170/4885RAB9A 2711/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 SMN1; SMN2 3564/4885NPC1 1268/4885RAB9A 2582/4885

“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.