SCHEMBL21147693

SCHEMBL21147693

O=S(=O)(c1ccccc1)n1c(I)cc2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.58
NOD1 Q9Y239 2/20 0.49
CXCL8 P10145 1/20 0.49
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.41
SLC9A1 P19634 1/20 0.41
SRC P12931 1/20 0.41
ALDH3A1 P30838 4/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30743526 0.87 ALDH3A1 (0.53) METNOD1CXCL8ALDH1A1LMNA
SCHEMBL21295049 0.80 MET (0.52) METNOD1CXCL8RECQLALDH1A1
SCHEMBL29847207 0.80 MET (0.52) METNOD1CXCL8RECQLALDH1A1
SCHEMBL29953394 0.77 NOD1 (0.38) METNOD1CXCL8RECQLALDH1A1
SCHEMBL1773438 0.77 CYP2C19 (0.55) METNOD1CXCL8RECQLALDH1A1
SCHEMBL7014825 0.76 CA12 (0.55) METNOD1CXCL8RECQLALDH1A1
SCHEMBL17714324 0.75 NOD1 (0.42) METNOD1CXCL8RECQLALDH1A1
SCHEMBL3705420 0.74 MET (1.00) METALDH1A1LMNACYP2C19ALDH3A1
SCHEMBL29847431 0.74 MET (1.00) METALDH1A1LMNACYP2C19ALDH3A1
SCHEMBL21115189 0.72 HTR6 (0.44) METNOD1CXCL8RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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 (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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT MET 4720/4885NOD1 3164/4885CXCL8 4277/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT MET 4686/4885NOD1 3184/4885CXCL8 4177/4885

“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.