SCHEMBL6645161

SCHEMBL6645161

O=C1CCCN1NCCF

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7368280 0.81 TSHR (0.34) BRD4BRD2LMNAKMT2APIK3CD
SCHEMBL22163800 0.80 LMNA (0.38) BRD4BRD2LMNAKMT2APIK3CD
SCHEMBL1306308 0.80 BRD4 (0.40) BRD4BRD2LMNAKMT2APIK3CD
SCHEMBL9264820 0.75
SCHEMBL11209111 0.74 ALOX5 (0.41) BRD4BRD2
SCHEMBL7098874 0.71 ALDH1A1 (0.34) LMNAKMT2ACYP1A2
SCHEMBL2917683 0.68
SCHEMBL11859676 0.67
SCHEMBL22869254 0.67
SCHEMBL8335124 0.67

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 BRD4 1051/4885BRD2 2141/4885LMNA 3614/4885

“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.