SCHEMBL980099

SCHEMBL980099

O=C(O)c1cc2cc(I)ccc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.69
GPR35 Q9HC97 7/20 0.67
MAOB P27338 6/20 0.67
CA12 O43570 4/20 0.67
CA1 P00915 4/20 0.67
CA6 P23280 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
CA5B Q9Y2D0 4/20 0.67
ALDH1A1 P00352 4/20 0.67
CA4 P22748 3/20 0.67
CA2 P00918 3/20 0.67
CA5A P35218 3/20 0.67
KDM4E B2RXH2 3/20 0.67
GRIN1 Q05586 1/20 0.67
GRIN2A Q12879 1/20 0.67
GRIN2B Q13224 1/20 0.67
GRIN2C Q14957 1/20 0.67
CYP1A2 P05177 1/20 0.67

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
SCHEMBL1367822 0.88 MAOB (0.54) MAOAGPR35MAOBCA12CA1
SCHEMBL1367680 0.88 MAOA (0.53) MAOAGPR35MAOBCA12CA1
SCHEMBL14841613 0.87 GPR35 (0.63) MAOAGPR35MAOBCA12CA1
SCHEMBL1368479 0.84 TSHR (0.51) MAOAGPR35MAOBCA12CA1
SCHEMBL11266285 0.81 MAOA (0.71) MAOAGPR35MAOBCA12CA1
SCHEMBL979779 0.81 MAOA (1.00) MAOAGPR35MAOBCA12CA1
SCHEMBL29785071 0.81 MAOA (1.00) MAOAGPR35MAOBCA12CA1
SCHEMBL9068774 0.80 MAOA (0.69) MAOAGPR35MAOBCA12CA1
SCHEMBL569881 0.80 GPR35 (1.00) MAOAGPR35MAOBCA12CA1
SCHEMBL9068782 0.80 KDM4E (1.00) MAOAGPR35MAOBCA12CA1

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
EP-4436956-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2024-10-02 EP disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
US-5482986-A ULTRAVIOLET RADIATION ABSORBER FOR THERMOPLASTIC RESINS; COLORLESS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-09 US disclosed
EP-0635504-A1 Benzopyran compound and use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-25 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 (1 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAOA 2101/4885GPR35 4234/4885MAOB 3235/4885

“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.