SCHEMBL3482649

SCHEMBL3482649

O=COS(=O)(=O)Oc1cccc2nc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
GLA P06280 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PTBP1 P26599 1/20 0.43
RCE1 Q9Y256 1/20 0.43
MAPT P10636 3/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.33
NQO2 P16083 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
HTT P42858 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL28239226 0.82 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9AKMT2AHPGD
SCHEMBL3203462 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ERAB9AKMT2AHPGD
SCHEMBL8000376 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EGLARAB9AKMT2A
SCHEMBL222907 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EGLARAB9AKMT2A
Water SCHEMBL7769205 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EGLARAB9AKMT2A
SCHEMBL3252424 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGLARAB9AKMT2A
SCHEMBL3482953 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGLARAB9AKMT2A
SCHEMBL28643462 0.74 HTR6 (0.46) ALDH1A1KDM4EGLARAB9AKMT2A
SCHEMBL5192732 0.73 KMT2A (0.58) ALDH1A1KDM4EGLARAB9AKMT2A
SCHEMBL7094916 0.73 GAA (0.54) ALDH1A1KDM4EGLARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7824928-B2 Hydrophilic chemiluminescent acridinium labeling reagents QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2010-11-02 US disclosed
US-20080199973-A1 HYDROPHILIC CHEMILUMINESCENT ACRIDINIUM LABELING REAGENTS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2008-08-21 US disclosed
US-7297555-B2 Hydrophilic chemiluminescent acridinium labeling reagents QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2007-11-20 US disclosed
US-20050255528-A1 Hydrophilic chemiluminescent acridinium labeling reagents QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2005-11-17 US disclosed
EP-1539702-A4 HYDROPHILIC CHEMILUMINESCENT ACRIDINIUM LABELING REAGENTS QUEST DIAGNOSTICS INVEST INC (US) 2005-09-07 EP disclosed
US-6924154-B2 Hydrophilic chemilumescent acridinium labeling reagents QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2005-08-02 US disclosed
EP-1539702-A2 HYDROPHILIC CHEMILUMINESCENT ACRIDINIUM LABELING REAGENTS Quest Diagnostics Investments Incorporated (US) 2005-06-15 EP disclosed
WO-2004018418-A2 HYDROPHILIC CHEMILUMINESCENT ACRIDINIUM LABELING REAGENTS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2004-03-04 WO disclosed
US-20040038294-A1 Comprises hydrophilic sulfoalkyl substituents/linkers which offset hydrophobicity of acridinium ring system; improved attachment with antibody/handling QUEST DIAGNOSTIC INVESTMENTS INCORPORATED 2004-02-26 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 (3 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-20080199973-A1 HYDROPHILIC CHEMILUMINESCENT ACRIDINIUM LABELING REAGENTS CTH, CBS, AHCY ALDH1A1 1709/4885KDM4E 4666/4885GLA 2718/4885
US-20050255528-A1 Hydrophilic chemiluminescent acridinium labeling reagents CTH, CBS, AHCY ALDH1A1 1709/4885KDM4E 4666/4885GLA 2718/4885
US-20040038294-A1 Comprises hydrophilic sulfoalkyl substituents/linkers which offset hydrophobicity of acridinium ring system; improved attachment with antibody/handling CTH, CBS, TST ALDH1A1 2567/4885KDM4E 4312/4885GLA 3997/4885

“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.