SCHEMBL6256479

SCHEMBL6256479

CN1CCN(C(=O)Cc2nn(-c3ccccc3)c(=O)c3c2c2ccc(Cl)cc2n3C)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.71
MAPK8 P45983 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAT2A P31153 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
SCHEMBL5746061 0.92 TSPO (0.60) TSPOMAT2A
Hydrochloric Acid SCHEMBL4839588 0.91 TSPO (0.59) TSPOMAT2A
SCHEMBL5702540 0.86 TSPO (0.81) TSPOMAPTMAT2A
SCHEMBL7493004 0.86 TSPO (0.61) TSPOSMN1; SMN2ALDH1A1
SCHEMBL5747445 0.85 TSPO (0.61) TSPOSMN1; SMN2ALDH1A1
SCHEMBL4836958 0.85 TSPO (0.61) TSPOALDH1A1MAT2A
Hydrochloric Acid SCHEMBL4841321 0.85 TSPO (0.60) TSPOSMN1; SMN2ALDH1A1
SCHEMBL197375 0.83 TSPO (1.00) TSPOMAPTMAT2A
SCHEMBL7721134 0.83 TSPO (0.76) TSPOPOLBMAPT
SCHEMBL5702522 0.82 TSPO (0.74) TSPOMAPTMAT2A

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-1539169-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS Pharmacia Corporation (US) 2005-06-15 EP disclosed
US-20040063751-A1 Combination therapy for the treatment of amyotrophic lateral sclerosis (ALS) with cyclooxygenase-2 (COX-2) inhibitor(s) and a second drug PHARMACIA CORPORATION 2004-04-01 US disclosed
WO-2003101380-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2003-12-11 WO 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-20040063751-A1 Combination therapy for the treatment of amyotrophic lateral sclerosis (ALS) with cyclooxygenase-2 (COX-2) inhibitor(s) and a second drug SMN1; SMN2, PTGS2, PTGES2 TSPO 2017/4885MAPK8 3673/4885LMNA 1755/4885

“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.