SCHEMBL21138536

SCHEMBL21138536

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nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.41
FOLH1 Q04609 2/20 0.41
MME P08473 2/20 0.41
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
STING1 Q86WV6 1/20 0.33
ENPEP Q07075 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL14355656 0.82 FOLH1 (0.43) NAALAD2FOLH1MMEGABRR1CYP1A2
SCHEMBL24760234 0.82 FOLH1 (0.43) NAALAD2FOLH1MMEGABRR1CYP1A2
SCHEMBL16768832 0.77 NAALAD2 (0.39) NAALAD2FOLH1MMEGABRR1CYP1A2
SCHEMBL24183930 0.75 MME (0.46) NAALAD2FOLH1MMEALDH1A1
SCHEMBL17300185 0.75 GABRR1 (0.41) NAALAD2FOLH1GABRR1CYP1A2ENPEP
SCHEMBL9947548 0.75 GABRR1 (0.41) NAALAD2FOLH1GABRR1CYP1A2ENPEP
SCHEMBL19352706 0.75 GABRR1 (0.41) NAALAD2FOLH1GABRR1CYP1A2ENPEP
SCHEMBL26207795 0.74 NAALAD2 (0.46) NAALAD2FOLH1MMEALDH1A1BLM
SCHEMBL23179962 0.74 POLB (0.51) NAALAD2FOLH1GABRR1CYP1A2ALDH1A1
SCHEMBL10020473 0.74 CA2 (0.53) NAALAD2FOLH1MMECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 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-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 NAALAD2 1108/4885FOLH1 1369/4885MME 2945/4885

“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.