SCHEMBL2857718

SCHEMBL2857718

CCCc1c(C(=O)N2CCCC2)cnn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
HPGD P15428 1/20 0.62
MAPT P10636 5/20 0.55
MAPK1 P28482 4/20 0.55
GAA P10253 2/20 0.55
NR4A3 Q92570 1/20 0.54
CYP3A4 P08684 1/20 0.52
POLB P06746 1/20 0.52
MAPK14 Q16539 2/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL2853025 0.89 ALDH1A1 (0.65) ALDH1A1HPGDMAPTMAPK1GAA
SCHEMBL14883365 0.84 ALDH1A1 (0.57) ALDH1A1HPGDMAPTMAPK1GAA
SCHEMBL2852047 0.84 ALDH1A1 (0.59) ALDH1A1HPGDMAPTMAPK1GAA
SCHEMBL2856061 0.83 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL773204 0.83 NR4A3 (0.78) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL17952720 0.82 HPGD (0.67) ALDH1A1HPGDMAPTMAPK1CYP3A4
SCHEMBL13593554 0.81 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL16615597 0.80 ALDH1A1 (0.74) ALDH1A1MAPTMAPK1LMNA
SCHEMBL27808 0.80 NR4A3 (0.61) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL14883363 0.80 HPGD (0.65) ALDH1A1HPGDMAPTMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885HPGD 1358/4885MAPT 3590/4885

“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.