SCHEMBL923918

SCHEMBL923918

COc1ccc2nc3ccccc3c(C(=O)O)c2c1.c1ccc2c(c1)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PLA2G2A P14555 2/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL3036200 0.87 KDM4E (0.56) DHODHKDM4EALDH1A1POLBHPGD
SCHEMBL641481 0.80 KDM4E (0.62) DHODHKDM4EALDH1A1POLBHPGD
SCHEMBL6584881 0.79 KDM4E (0.56) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL7533914 0.78 CYP2D6 (0.55) DHODHKDM4EALDH1A1POLBHPGD
Hydrochloric Acid SCHEMBL7531424 0.78 KDM4E (0.54) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL22969068 0.73 KDM4E (0.53) DHODHKDM4EALDH1A1POLBHPGD
SCHEMBL923917 0.72 MMP13 (0.55) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL3036378 0.72 POLB (0.55) DHODHKDM4EALDH1A1POLBHPGD
SCHEMBL13985404 0.71 DHODH (0.58) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7702486 0.71 ALOX15 (0.57) DHODHKDM4EALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9575062-B2 Zwitterion-containing acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-02-21 US disclosed
US-20140295575-A1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-10-02 US disclosed
EP-1403254-B1 Novel applications of acridinium compounds and derivatives in homogeneous assays SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-09-17 EP disclosed
US-8778624-B2 Zwitterion-containing acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-07-15 US disclosed
US-20120225497-A1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2012-09-06 US disclosed
US-7875467-B2 Chemiluminescence; quantitative analysis of macromolecules; complexing sample to acridinium compound, labels for improving sensitivity of immunoassays, 2',6'-dimethyl-4'-N-succinimidyloxycaproyl-amidocarbonylphenyl-N10-2,7-tris[O-methoxyhexa(ethylene) glycol-sulfonamidylpropyl]-acridinium-9-carboxylate SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2011-01-25 US disclosed
US-20090029349-A1 Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2009-01-29 US disclosed
US-20080305557-A1 Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2008-12-11 US disclosed
US-7319041-B2 Applications of acridinium compounds and derivatives in homogeneous assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2008-01-15 US disclosed
US-20040063147-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays BAYER CORPORATION 2004-04-01 US disclosed
EP-1403254-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays Bayer Healthcare, LLC (US) 2004-03-31 EP 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-20040063147-A1 Novel applications of acridinium compounds and derivatives in homogeneous assays ACR, SSB, NASP DHODH 4196/4885KDM4E 4637/4885ALDH1A1 2032/4885
US-20120225497-A1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS ACR, SSB, FCGR3B DHODH 3794/4885KDM4E 3916/4885ALDH1A1 2763/4885

“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.