SCHEMBL403808

SCHEMBL403808

c1ccc2c(-c3conn3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.49
HSD17B10 Q99714 2/20 0.49
THRB P10828 2/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
IMPDH2 P12268 2/20 0.49
CLK1 P49759 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
DYRK1A Q13627 1/20 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
SCHEMBL27695699 0.75 CLK1 (0.53) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5084446 0.74 KIF11 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL20562205 0.73 MEN1 (0.56) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL1202543 0.73 IMPDH2 (0.63) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL25034150 0.73 TUBB4A (0.68) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL20017671 0.73 CLK1 (0.58) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL469693 0.72 MEN1 (0.57) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL28399449 0.72 MEN1 (0.65) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL8559737 0.72 MAPT (0.51) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL6428705 0.72 MAPT (0.51) MEN1KMT2AHTTMAPTSMN1; SMN2

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 US disclosed
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 US disclosed
CN-113214238-B Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2022-07-22 CN disclosed
CN-113214238-B Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2022-07-22 CN disclosed
CN-113200971-B Synthesis and application of indole oxadiazole derivative with aryl piperazine structure 济南大学 2022-06-28 CN disclosed
CN-113200971-B Synthesis and application of indole oxadiazole derivative with aryl piperazine structure 济南大学 2022-06-28 CN disclosed
CN-113214238-A Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2021-08-06 CN disclosed
CN-113214238-A Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2021-08-06 CN disclosed
CN-113200971-A Synthesis and application of indole oxadiazole derivative with aromatic piperazine structure 济南大学 2021-08-03 CN disclosed
CN-113200971-A Synthesis and application of indole oxadiazole derivative with aromatic piperazine structure 济南大学 2021-08-03 CN disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO 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 (5 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 MEN1 731/4885KMT2A 2344/4885HTT 2153/4885
US-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 MEN1 2901/4885KMT2A 4598/4885HTT 1267/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 MEN1 2901/4885KMT2A 4598/4885HTT 1267/4885
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE CNR2, GPR119, CNR1 MEN1 4146/4885KMT2A 2952/4885HTT 3755/4885
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 MEN1 2012/4885KMT2A 4115/4885HTT 4717/4885

“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.