SCHEMBL5040910

SCHEMBL5040910

CCCCCOc1cnc(C(N)=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 2/20 0.46
PLA2G2A P14555 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 1/20 0.45
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL26028967 0.95 MAPT (0.47) LMNAMAPTKMT2AHDAC6TP53
SCHEMBL25903475 0.78 HTT (0.49) MAPTMEN1KMT2ATP53TSHR
SCHEMBL14028771 0.76 RARB (0.54) LMNACYP3A4MAPTMEN1CHRM2
SCHEMBL5040917 0.76 TSHR (0.49) TSHRNPC1NR5A1RAB9A
SCHEMBL13447547 0.75 NFKB1 (0.51) LMNACYP3A4MAPTMEN1KMT2A
SCHEMBL3986779 0.74 TP53 (0.70) LMNAMAPTTP53TSHRPLA2G4B
SCHEMBL19723267 0.72 TP53 (0.73) LMNAMAPTTP53TSHRPLA2G4B
SCHEMBL8108920 0.72 TP53 (0.73) LMNAMAPTTP53TSHRPLA2G4B
SCHEMBL12954709 0.72 TP53 (0.73) LMNAMAPTTP53TSHRPLA2G4B
SCHEMBL7455430 0.72 TP53 (0.73) LMNAMAPTTP53TSHRPLA2G4B

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 5 patents. 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 claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO 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 LMNA 1292/4885CYP3A4 3351/4885MAPT 19/4885

“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.