SCHEMBL4881875

SCHEMBL4881875

COCCOc1c[c]ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 2/20 0.34
S1PR4 O95977 2/20 0.34
PLAU P00749 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL16973600 0.91 L3MBTL1 (0.38) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL4532814 0.86 L3MBTL1 (0.40) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL4885849 0.84 CSNK2A1 (0.44) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL3082367 0.83 FDPS (0.33) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL4887608 0.83 L3MBTL1 (0.45) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL14814247 0.82 L3MBTL1 (0.39) L3MBTL1POLBHPGDALDH1A1CYP2C9
SCHEMBL4888139 0.82 SMN1; SMN2 (0.42) L3MBTL1MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL4885840 0.81 HPGD (0.38) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL1691562 0.81 MCHR1 (0.40) L3MBTL1POLBMAPTHPGDALDH1A1
SCHEMBL27639456 0.81 MAPT (0.38) L3MBTL1MAPTHPGDALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
US-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS CULSHAW ANDREW JAMES 2008-11-27 US disclosed
CN-100432059-C Quinazolinone derivatives useful as anti-hyperalgesic agents NOVARTIS AG (CH) 2008-11-12 CN disclosed
CN-1711249-A Quinazolinone derivatives useful as anti-hyperalgesic agents NOVARTIS AG (CH) 2005-12-21 CN disclosed
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 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-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS OPRK1, OPRL1, TRPV1 L3MBTL1 2929/4885POLB 4574/4885MAPT 4614/4885

“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.