SCHEMBL3715365

SCHEMBL3715365

CC[CH]c1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.41
PTGS2 P35354 1/20 0.38
ERN1 O75460 1/20 0.38
TRPA1 O75762 1/20 0.36
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
GPR55 Q9Y2T6 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL8380098 0.85 NFE2L2 (0.37) NFE2L2PTGS2ERN1TRPA1CES2
SCHEMBL3713124 0.81 NFE2L2 (0.56) NFE2L2TRPA1NPC1ALDH1A1CYP1A2
SCHEMBL9419293 0.81 PTGS2 (0.42) NFE2L2PTGS2ERN1TRPA1CES2
SCHEMBL9723201 0.81 PTGS2 (0.42) NFE2L2PTGS2ERN1TRPA1CES2
SCHEMBL3716195 0.80 ALDH1A1 (0.37) NFE2L2ALDH1A1CYP1A2ACHE
SCHEMBL3716196 0.80 NFE2L2 (0.39) NFE2L2ERN1TRPA1NPC1ALDH1A1
SCHEMBL16957751 0.79 NFE2L2 (0.38) NFE2L2PTGS2ERN1TRPA1CES2
SCHEMBL16961732 0.79 PTGS2 (0.35) NFE2L2PTGS2ERN1TRPA1CES2
SCHEMBL16958387 0.77 NFE2L2 (0.37) NFE2L2PTGS2ERN1CES2BCHE
SCHEMBL16960264 0.77 NFE2L2 (0.37) NFE2L2PTGS2ERN1CES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP disclosed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
EP-2951179-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS Merck Patent GmbH (DE) 2015-12-09 EP disclosed
WO-2014117920-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2014-08-07 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 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-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NFE2L2 638/4885PTGS2 164/4885ERN1 1767/4885
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 NFE2L2 3211/4885PTGS2 2463/4885ERN1 3147/4885

“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.