SCHEMBL6468455

SCHEMBL6468455

CC(NC(=O)Cc1cncc(Br)c1)C(=O)Nc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
FFAR2 O15552 2/20 0.41
DGAT2 Q96PD7 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PSMB5 P28074 1/20 0.37
CTSK P43235 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6466561 0.86 PSEN1 (0.44) GAATHRBCTSKPSEN1PSEN2
SCHEMBL5784425 0.79 EGFR (0.46) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL5875614 0.78 PSEN1 (0.54) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL8257275 0.78 PSEN1 (0.54) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL9118287 0.76 FFAR2 (0.45) NTRK1FFAR2DGAT2KMT2AKDM4E
SCHEMBL6468928 0.76 FAAH (0.48) NTRK1GAATHRBKMT2APSMB5
SCHEMBL13255711 0.71 FFAR2 (0.55) GAATHRBFFAR2RAB9ANPC1
SCHEMBL5875851 0.70 PSEN1 (0.53) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL6468975 0.70 PSEN1 (0.54) GAATHRBPSEN1PSEN2APH1B
SCHEMBL3515284 0.69 KDM4E (0.45) NTRK1FFAR2DGAT2RAB9ANPC1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA NTRK1 2362/4885GAA 186/4885THRB 869/4885

“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.