SCHEMBL3385330

SCHEMBL3385330

O=C(O)c1ccc(/N=N/c2ccc(C(=O)O)c(O)c2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
PDE4A P27815 1/20 0.70
BLVRB P30043 1/20 0.70
KDR P35968 1/20 0.70
HTT P42858 1/20 0.70
HSD17B10 Q99714 5/20 0.66
HPGD P15428 4/20 0.66
CYP2C19 P33261 2/20 0.66
MAPK1 P28482 2/20 0.66
CYP1A2 P05177 1/20 0.66
TDP1 Q9NUW8 3/20 0.61
APP P05067 1/20 0.61
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
ALDH1A1 P00352 7/20 0.59
TSHR P16473 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59

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
SCHEMBL1624756 1.00 MEN1 (0.70) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL26730466 1.00 MEN1 (0.70) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL10930328 0.98 MEN1 (0.68) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL1624852 0.92 MEN1 (0.85) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL3386039 0.92 MEN1 (0.85) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL10334178 0.91 KMT2A (0.59) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL10334179 0.91 KMT2A (0.59) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL3708516 0.88 ALDH1A1 (0.56) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL12374379 0.88 ALDH1A1 (0.56) MEN1KMT2APDE4ABLVRBKDR
SCHEMBL24849465 0.85 KMT2A (0.61) MEN1KMT2APDE4ABLVRBKDR

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
WO-2023104665-A1 METAL ORGANIC FRAMEWORKS FOR THE SELECTIVE CAPTURE OF VOLATIL ORGANIC COMPOUNDS COMPRISING CARBOXYLIC ACID FUNCTIONAL GROUP(S) AND/OR VOLATILE ALCOHOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-15 WO claimed
EP-4194084-A1 METAL ORGANIC FRAMEWORKS FOR THE SELECTIVE CAPTURE OF VOLATIL ORGANIC COMPOUNDS COMPRISING CARBOXYLIC ACID FUNCTIONAL GROUP(S) Centre National de la Recherche Scientifique (FR) 2023-06-14 EP claimed
EP-1663253-B1 FORMULATIONS CONTAINING SALICYLATES AND THEIR USE FOR TREATING INFLAMMATORY BOWEL DISEASE AGI THERAPEUTICS RES LTD (IE) 2010-12-01 EP claimed
WO-2023104665-A1 METAL ORGANIC FRAMEWORKS FOR THE SELECTIVE CAPTURE OF VOLATIL ORGANIC COMPOUNDS COMPRISING CARBOXYLIC ACID FUNCTIONAL GROUP(S) AND/OR VOLATILE ALCOHOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-15 WO disclosed
EP-4194084-A1 METAL ORGANIC FRAMEWORKS FOR THE SELECTIVE CAPTURE OF VOLATIL ORGANIC COMPOUNDS COMPRISING CARBOXYLIC ACID FUNCTIONAL GROUP(S) Centre National de la Recherche Scientifique (FR) 2023-06-14 EP disclosed
US-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC CORPORATION (JP) 2018-08-30 US disclosed
EP-3342769-A1 ORGANIC COMPOUND, METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC Corporation (JP) 2018-07-04 EP disclosed
EP-0145776-A1 A PHARMACEUTICAL COMPOSITION CONTAINING AZO-BIS-SALICYLIC ACID OR A SALT THEREOF AND A METHOD FOR TREATMENT OF INFLAMMATORY CONDITIONS IN THE INTESTINE PHARMACIA AB (SE) 1985-06-26 EP disclosed
WO-1985000012-A1 A PHARMACEUTICAL COMPOSITION CONTAINING AZO-BIS-SALICYLIC ACID OR A SALT THEREOF AND A METHOD FOR TREATMENT OF INFLAMMATORY CONDITIONS IN THE INTESTINE PHARMACIA AB (SE) 1985-01-03 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 (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-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME TST, SOAT1, SOAT2 MEN1 1120/4885KMT2A 1336/4885PDE4A 4469/4885

“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.