SCHEMBL730928

SCHEMBL730928

CCc1c(C(=O)C(=O)O)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
RORC P51449 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
TLR9 Q9NR96 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8977186 0.88 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10487698 0.81 MEN1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10607310 0.80 SMN1; SMN2 (0.45) ALDH1A1MAPTNPSR1NPC1MITF
SCHEMBL10608505 0.78 ALDH1A1 (0.45) ALDH1A1NPSR1NPC1RAB9AHTT
SCHEMBL25256986 0.78 ALDH1A1 (0.38) AKR1B1ALDH1A1MAPTNPSR1HTT
SCHEMBL10487782 0.77 LMNA (0.43) AKR1B1ALDH1A1MAPTNPSR1HTT
SCHEMBL7941828 0.76 TP53 (0.43) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL9512370 0.74 TDP1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11676843 0.74 SMN1; SMN2 (0.44) AKR1B1ALDH1A1NPC1RAB9AHTT
SCHEMBL730075 0.73 PTGS1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 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 (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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT GRIN2D 2410/4885GRIN3B 1413/4885GRIN1 1040/4885

“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.