SCHEMBL6646830

SCHEMBL6646830

O=c1[nH]c(Cl)cc2c(Cl)cc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
GRIN1 Q05586 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
GRIA1 P42261 1/20 0.38

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
SCHEMBL6643243 0.82 TNKS (0.36) PARP1GRIN1ALDH1A1GRIN2DGRIN3B
SCHEMBL6644700 0.82 PARP1 (0.42) PARP1GRIN1ALDH1A1GRIN2DGRIN3B
SCHEMBL1040998 0.75 ALDH1A1 (0.56) GRIN1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6646049 0.75 TNKS (0.53) PARP1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL3423565 0.71 KDM4E (0.50) PARP1GRIN1ALDH1A1GRIN2DGRIN3B
SCHEMBL6645110 0.71 PARP1 (0.49) PARP1GRIN1ALDH1A1GRIN2DGRIN3B
SCHEMBL6646046 0.70 HRH4 (0.49) MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL6648236 0.69 PARP1 (0.35) PARP1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6647815 0.69 PARP1 (0.34) PARP1GRIN1ALDH1A1GRIN2DGRIN3B
SCHEMBL3423892 0.68 HTT (0.41) PARP1GRIN1ALDH1A1GRIN2DGRIN3B

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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 PARP1 2/4885GRIN1 833/4885ALDH1A1 65/4885

“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.