SCHEMBL5956490

SCHEMBL5956490

Cc1cccc(C(=O)Cc2ccnc(-c3ccc(C=O)cc3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 6/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
P2RX7 Q99572 1/20 0.37
GRM5 P41594 2/20 0.36
KDM1A O60341 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TGFBR1 P36897 2/20 0.34

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
SCHEMBL5956662 0.86 LOXL2 (0.55) WNT3ALOXL2IRAK4TGFBR1
SCHEMBL5956509 0.86 IRAK4 (0.41) WNT3ALOXL2IRAK4P2RX7GRM5
SCHEMBL5956440 0.85 WNT3A (0.43) WNT3AKDM1AHDAC1HDAC6
SCHEMBL5956453 0.84 TGFBR1 (0.45) WNT3ALOXL2TGFBR1
SCHEMBL5956629 0.84 TGFBR1 (0.47) WNT3ALOXL2P2RX7TGFBR1
SCHEMBL5956561 0.82 ACACA (0.43) WNT3ALOXL2IRAK4P2RX7TGFBR1
SCHEMBL5956384 0.82 SCN10A (0.47) WNT3A
SCHEMBL5790926 0.80 HDAC1 (0.46) WNT3AKDM1AHDAC1PSEN1PSEN2
SCHEMBL5956493 0.79 HDAC1 (0.46) HDAC1TGFBR1
SCHEMBL5956591 0.79 WNT3A (0.45) WNT3AKDM1AHDAC1

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-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 WNT3A 787/4885LOXL2 758/4885IRAK4 278/4885

“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.