SCHEMBL4887689

SCHEMBL4887689

CCCOc1c[c]cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CSNK2A1 P68400 2/20 0.31
PDE4D Q08499 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15063808 0.84 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1ALDH1A1POLB
SCHEMBL4885819 0.81
SCHEMBL20658491 0.78 TLR4 (0.31) L3MBTL1ALDH1A1MAPT
SCHEMBL4881384 0.76 HTR2A (0.32) HTR2A
SCHEMBL14814379 0.76 L3MBTL1 (0.40) L3MBTL1KDM4EMEN1USP2ALDH1A1
SCHEMBL162033 0.76 L3MBTL1 (0.40) L3MBTL1KDM4EMEN1USP2ALDH1A1
SCHEMBL6627059 0.75 ALDH1A1 (0.37) KDM4EMEN1USP2ALDH1A1TP53
SCHEMBL7849136 0.74 LTA4H (0.38) KDM4EMEN1USP2ALDH1A1TP53
SCHEMBL16395028 0.73 ALOX5AP (0.34)
SCHEMBL2288733 0.73 TUBB1 (0.33) L3MBTL1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS CULSHAW ANDREW JAMES 2008-11-27 US disclosed
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents CULSHAW ANDREW J 2006-07-13 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 (2 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-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS OPRK1, OPRL1, TRPV1 L3MBTL1 2929/4885KDM4E 3327/4885MEN1 4802/4885
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents OPRK1, OPRL1, TRPV1 L3MBTL1 2929/4885KDM4E 3327/4885MEN1 4802/4885

“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.