SCHEMBL6795429

SCHEMBL6795429

Oc1cccc2[nH]c(Cc3nc4ccccc4[nH]3)nc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.59
GRIN2B Q13224 2/20 0.59
PDE10A Q9Y233 1/20 0.58
GAA P10253 2/20 0.57
LMNA P02545 2/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
DDAH1 O94760 1/20 0.51
POLB P06746 1/20 0.51
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
F7 P08709 1/20 0.51
TSHR P16473 1/20 0.50
KRAS P01116 1/20 0.48
CHRM1 P11229 1/20 0.48
BCHE P06276 1/20 0.47

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
Hydrochloric Acid SCHEMBL6791084 0.98 GRIN1 (0.58) GRIN1GRIN2BPDE10AGAALMNA
SCHEMBL6795421 0.84 GAA (0.57) GRIN1GRIN2BGAALMNAPKM
Hydrochloric Acid SCHEMBL6791080 0.83 GAA (0.56) GRIN1GRIN2BGAALMNAPKM
SCHEMBL230024 0.83 GAA (0.78) GRIN1GRIN2BGAALMNAPKM
SCHEMBL9540471 0.83 GRIN2B (0.77) GRIN1GRIN2BPDE10AGAAPKM
SCHEMBL7001484 0.81 GAA (0.57) GRIN1GRIN2BGAALMNAPKM
SCHEMBL6887750 0.81 GAA (0.73) GRIN1GRIN2BGAALMNAPKM
SCHEMBL7409417 0.79 F10 (0.62) F2F10F7
SCHEMBL9533100 0.78 GRIN1 (0.55) GRIN1GRIN2BPDE10AGAALMNA
Iodomethane SCHEMBL27491515 0.78 GAA (0.70) GAALMNAPKMDDAH1POLB

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
WO-2004066999-A1 COMPOSITIONS CONTAINING 2, 2’ -METHYLENEBISBENZIMIDAZOLE DERIVATIVES FOR TREATING ISCHEMIA-RELATED NEURONAL DAMAGE ELAN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
US-20040072862-A1 Compositions for treating ischemia-related neuronal damage ELAN PHARMACEUTICALS, INC. 2004-04-15 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-20040072862-A1 Compositions for treating ischemia-related neuronal damage CASP3, NLN, AIFM1 GRIN1 68/4885GRIN2B 89/4885PDE10A 1601/4885

“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.