SCHEMBL21657741

SCHEMBL21657741

Cc1cc(I)[nH]c(=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 3/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TYMP P19971 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
DAO P14920 1/20 0.32

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
SCHEMBL8265173 0.75 MAPK1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11206266 0.71 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22083409 0.71 KDM4E (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22072955 0.69
SCHEMBL21657751 0.68
SCHEMBL18560159 0.66 TSHR (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12946182 0.62 HSD17B10 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7121819 0.62 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4928504 0.60 KDM4E (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15604153 0.60 TYMP (0.52) TYMPATAD2CA1

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-10548911-B2 Small molecule anti-scarring agents UNIVERSITY OF ROCHESTER (US) 2020-02-04 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP GRIN2D 4885/4885GRIN3B 4820/4885GRIN1 4852/4885
US-10548911-B2 Small molecule anti-scarring agents COLGALT1, MMP1, FIBP GRIN2D 4885/4885GRIN3B 4820/4885GRIN1 4852/4885

“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.