SCHEMBL4437293

SCHEMBL4437293

[O-][n+]1cccc2c(O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 3/20 0.41
RECQL P46063 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
APP P05067 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SNCA P37840 1/20 0.41
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
IDO1 P14902 1/20 0.37
CDK2 P24941 2/20 0.34
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL1193736 0.85 IDO1 (0.44) MAPTHTTHSP90AA1HPGDHSD17B10
SCHEMBL1295362 0.77 MAPT (0.35) MAPTHTTHSP90AA1HSD17B10LMNA
SCHEMBL30873742 0.75 MAPT (0.46) MAPTHTTHSP90AA1RECQLTHRB
SCHEMBL5800459 0.75 CYP1A2 (0.48) MAPTHTTHSP90AA1HPGDHSD17B10
SCHEMBL1747611 0.75 MAPT (0.46) MAPTHTTHSP90AA1RECQLTHRB
SCHEMBL1261956 0.75 ALDH1A1 (0.48) MAPTHTTHSP90AA1HPGDHSD17B10
SCHEMBL12751165 0.75 MAPT (0.34) MAPTHTTHSP90AA1LMNAKDM4E
SCHEMBL2798258 0.75 CYP1A2 (0.48) MAPTHTTHSP90AA1CYP1A2ALDH1A1
SCHEMBL9332720 0.75 MAPT (0.51) MAPTHTTHPGDHSD17B10ALOX15
SCHEMBL9332711 0.75 HPGD (0.41) MAPTHTTHPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060105410-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US claimed
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US claimed
EP-1650200-A1 SULFONATE COMPOUND AND FLUORESCENT PROBE USING THE SAME Osaka Industrial Promotion Organization (JP) 2006-04-26 EP claimed
CN-109776412-B Synthesis method of N oxide 陕西大生制药科技有限公司 2022-12-13 CN disclosed
US-7491832-B2 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2009-02-17 US disclosed
US-7465814-B2 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2008-12-16 US disclosed
EP-1499319-B1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-12-05 EP disclosed
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 EP disclosed
US-20060105410-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US disclosed
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US disclosed
US-7037913-B2 Piperazinyl derivatives of naphthalenes, (iso)quinolines and naphthyridines; used particularly the treatment of HIV and AIDS. BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
EP-1650200-A1 SULFONATE COMPOUND AND FLUORESCENT PROBE USING THE SAME Osaka Industrial Promotion Organization (JP) 2006-04-26 EP disclosed
EP-1499319-A4 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2006-02-08 EP disclosed
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1499319-A1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES Bristol-Myers Squibb Company (US) 2005-01-26 EP disclosed
US-20040009985-A1 Bicyclo 4.4.0 antiviral derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-01-15 US disclosed
WO-2003092695-A1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-13 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 (4 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-20060105410-A1 Sulfonate compound and fluorescent probe using the same BRS3, NCOA3, NR4A3 MAPT 4674/4885HTT 3932/4885HSP90AA1 4737/4885
US-20040009985-A1 Bicyclo 4.4.0 antiviral derivatives CCR5, ITPA, IL4 MAPT 3383/4885HTT 4301/4885HSP90AA1 3916/4885
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same SLCO1B3, CBR3, SLCO2B1 MAPT 4468/4885HTT 3866/4885HSP90AA1 4565/4885
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A MAPT 4152/4885HTT 1005/4885HSP90AA1 2095/4885

“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.