SCHEMBL7048903

SCHEMBL7048903

O=Cc1cccc(Oc2ccccc2)c1.c1ccc(Oc2cccc(CN[C@H]3CCCc4ccccc43)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.46
P2RX3 P56373 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
KMT2A Q03164 2/20 0.45
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
PRMT5 O14744 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6252285 0.91 KDM4E (0.58) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL9080523 0.91 KDM4E (0.58) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL6267392 0.85 KDM4E (0.55) KDM4EALDH1A1KMT2ATAOK3PRMT5
SCHEMBL6252831 0.83 KDM4E (0.51) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL6251546 0.83 KDM4E (0.51) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL6256318 0.83 KMT2A (0.53) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL6256482 0.83 KDM4E (0.51) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL6258132 0.83 KMT2A (0.62) KDM4EALDH1A1KMT2ATAOK1TAOK3
SCHEMBL6255272 0.81 KDM4E (0.51) KDM4EALDH1A1P2RX3P2RX2KMT2A
SCHEMBL6256553 0.81 KDM4E (0.66) KDM4EALDH1A1P2RX3P2RX2KMT2A

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-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 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-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KDM4E 3321/4885ALDH1A1 392/4885P2RX3 1/4885

“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.