SCHEMBL5680925

SCHEMBL5680925

Cc1cc2nc(N)[nH]c2cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.72
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
BACE1 P56817 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
TYMS P04818 4/20 0.46
PLAU P00749 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5924162 0.93 FABP6 (0.72) FABP6HTR3EHTR3BHTR3ABACE1
SCHEMBL216056 0.84 HTR3E (0.60) FABP6HTR3EHTR3BHTR3ABACE1
SCHEMBL393703 0.84 FABP6 (1.00) FABP6HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL30633447 0.82 HTR3E (0.58) FABP6HTR3EHTR3BHTR3ABACE1
Water SCHEMBL10985661 0.82 FABP6 (0.96) FABP6HTR3EHTR3BHTR3ABACE1
Bromide SCHEMBL23295657 0.82 FABP6 (0.96) FABP6HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL26613650 0.82 HTR3E (0.58) FABP6HTR3EHTR3BHTR3ABACE1
SCHEMBL12020717 0.81 ALDH1A1 (0.56) FABP6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1440395 0.81 GRIN2D (0.47) FABP6GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1440703 0.79 GRIN2D (0.46) FABP6GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 US disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 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 (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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 FABP6 618/4885HTR3E 1624/4885HTR3B 1148/4885

“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.