SCHEMBL10062017

SCHEMBL10062017

COc1ccc(NC(=O)c2ccccc2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
LMNA P02545 1/20 0.91
GAA P10253 3/20 0.74
HTT P42858 1/20 0.74
HPGD P15428 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
METAP2 P50579 1/20 0.68
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
ALDH1A1 P00352 3/20 0.67
POLB P06746 2/20 0.67
PNLIP P16233 1/20 0.67
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
TYK2 P29597 1/20 0.62
KCNK3 O14649 1/20 0.61
KCNK9 Q9NPC2 1/20 0.61

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
SCHEMBL5225897 0.85 NPC1 (0.74) NPC1RAB9ALMNAGAAHTT
SCHEMBL12189549 0.84 NPC1 (0.72) NPC1RAB9ALMNAGAAMETAP2
SCHEMBL5080078 0.84 PNLIP (0.91) NPC1RAB9ALMNAGAAHTT
SCHEMBL3949532 0.84 KMT2A (0.78) NPC1RAB9ALMNAGAAHTT
SCHEMBL4436642 0.83 KCNK3 (0.77) NPC1RAB9ALMNAGAAHPGD
SCHEMBL4442096 0.83 RAB9A (0.74) NPC1RAB9ALMNAGAAHTT
SCHEMBL1825853 0.83 NPC1 (0.70) NPC1RAB9ALMNAGAAHTT
SCHEMBL3684485 0.83 HPGD (0.79) NPC1RAB9ALMNAGAAHTT
SCHEMBL29519361 0.83 HPGD (0.79) NPC1RAB9ALMNAGAAHTT
SCHEMBL21993 0.83 HPGD (1.00) NPC1RAB9ALMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55053207-A None JP disclosed
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-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US 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-9447027-B2 Treating long QT syndrome THE GENERAL HOSPITAL CORPORATION (US) 2016-09-20 US disclosed
US-9447027-B2 Treating long QT syndrome THE GENERAL HOSPITAL CORPORATION (US) 2016-09-20 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
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 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-2014117920-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2014-08-07 WO disclosed
US-20130310351-A1 Treating Long QT Syndrome THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US disclosed
WO-2012054718-A2 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2012-04-26 WO disclosed
JP-S5553207-A WOOD PRESERVATIVE YOSHITOMI PHARMACEUT IND LTD 1980-04-18 JP disclosed
US-4105693-A REACTING ALKYL 2-ALKYL BENZOATE WITH AN ANILINE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1978-08-08 US disclosed
US-3985804-A Agricultural substituted 2-methylbenzanilide germicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-10-12 US disclosed
US-3937840-A COMPOSITIONS AND METHODS OF COMBATTING BACTERIA AND FUNGI USING 2-METHYLBENZANILIDE DERIVATIVES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-02-10 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-20130310351-A1 Treating Long QT Syndrome TNNI3, TNNT2, TNNC1 NPC1 1603/4885RAB9A 1007/4885LMNA 127/4885
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 NPC1 3246/4885RAB9A 1024/4885LMNA 4755/4885

“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.