SCHEMBL2374424

SCHEMBL2374424

O=C([C@H](Cc1ccccc1)NCc1ccccn1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL2374433 1.00 SMN1; SMN2 (0.55) SMN1; SMN2POLBKDM4EMEN1KMT2A
SCHEMBL2376389 0.87 POLB (0.65) POLBMEN1KMT2AFAAH
SCHEMBL2376394 0.87 POLB (0.65) POLBMEN1KMT2AFAAH
SCHEMBL2376376 0.85 POLB (0.51) SMN1; SMN2POLBKDM4EMEN1KMT2A
SCHEMBL2376370 0.85 POLB (0.51) SMN1; SMN2POLBKDM4EMEN1KMT2A
SCHEMBL12139200 0.83 ALDH1A1 (0.56) SMN1; SMN2KDM4ECYP1A2CYP2D6MAPT
SCHEMBL19290046 0.81 POLB (0.63) POLBMEN1KMT2AFAAH
SCHEMBL2374673 0.79 POLB (0.51) POLBMEN1KMT2A
SCHEMBL2374680 0.79 POLB (0.51) POLBMEN1KMT2A
SCHEMBL16254373 0.79 POLB (0.66) POLBMEN1KMT2AFAAH

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 SMN1; SMN2 4567/4885POLB 1882/4885KDM4E 1004/4885

“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.