SCHEMBL3206570

SCHEMBL3206570

O=C(O)c1cccc(C(=O)O)c1Nc1cccc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
CXCR2 P25025 1/20 0.44
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
TAS2R14 Q9NYV8 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAP2K1 Q02750 2/20 0.42
MAP2K2 P36507 1/20 0.42
FABP4 P15090 1/20 0.42
CSNK2A1 P68400 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.40
NGLY1 Q96IV0 1/20 0.40
CTSV O60911 1/20 0.40

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
SCHEMBL7586739 0.83 CXCR2 (0.47) GRIK1CXCR2AKR1C3AKR1C2TAS2R14
SCHEMBL7595003 0.83 CXCR2 (0.52) GRIK1CXCR2AKR1C3AKR1C2PTGS1
SCHEMBL2445505 0.82 CXCR2 (0.46) GRIK1CXCR2AKR1C3AKR1C2PTGS1
SCHEMBL17060022 0.82 CYP3A4 (0.60) GRIK1CXCR2CSNK2A1MEN1KMT2A
SCHEMBL8285642 0.81 CXCR2 (0.60) CXCR2AKR1C3AKR1C2TAS2R14PTGS1
SCHEMBL16621392 0.76 AKR1C3 (0.53) AKR1C3AKR1C2CSNK2A1MAPTMEN1
SCHEMBL1686500 0.74 MEN1 (0.55) PTGS1PTGS2MAPTMEN1KMT2A
SCHEMBL6346307 0.73 ALDH1A1 (0.68) PTGS1PTGS2MAPTMEN1KMT2A
SCHEMBL869587 0.72 DHODH (0.46) GRIK1PTGS1PTGS2CSNK2A1MAPT
SCHEMBL28277843 0.72 MEN1 (0.57) AKR1C3AKR1C2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
EP-2046789-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-04-15 EP disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 GRIK1 4504/4885CXCR2 2989/4885AKR1C3 330/4885

“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.