SCHEMBL16017644

SCHEMBL16017644

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nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.50
CYP1A2 P05177 1/20 0.50
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
LTA4H P09960 1/20 0.39
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
ENPEP Q07075 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL12386566 1.00 GABRR1 (0.50) GABRR1CYP1A2BLMPMP22ACE2
SCHEMBL14608893 0.82 PMP22 (0.64) GABRR1CYP1A2BLMPMP22ACE2
SCHEMBL15601866 0.82 PMP22 (0.64) GABRR1CYP1A2BLMPMP22ACE2
SCHEMBL15339726 0.81 NLRP3 (0.36) GABRR1CYP1A2PMP22
SCHEMBL18215174 0.81 GABRR1 (0.50) GABRR1CYP1A2BLMPMP22ACE2
SCHEMBL7805773 0.81 NLRP3 (0.36) GABRR1CYP1A2PMP22
SCHEMBL14611452 0.79 GABRR1 (0.54) GABRR1CYP1A2BLMPMP22ACE2
SCHEMBL27810909 0.79 GABRR1 (0.48) GABRR1CYP1A2BLMPMP22ACE2
SCHEMBL5139179 0.79 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
Methionine Sulfone SCHEMBL1527360 0.76 PMP22 (0.69) CYP1A2BLMPMP22

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-20140256912-A1 Stabilized Variant MAML Peptides and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-11 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-20140256912-A1 Stabilized Variant MAML Peptides and Uses Thereof NOTCH1, MDN1, NOTCH2 GABRR1 3995/4885CYP1A2 4808/4885BLM 3532/4885

“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.