SCHEMBL4454349

SCHEMBL4454349

C[C@@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MDM4 O15151 2/20 0.43
MDM2 Q00987 2/20 0.43
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PDK1 Q15118 3/20 0.40
HDAC8 Q9BY41 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL29438205 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL6013579 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL29695353 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL62782 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL29438203 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL9370834 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL4894601 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL126595 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL8541737 0.92 MEN1 (0.48) NPC1RAB9AMDM4MDM2TRPM8
SCHEMBL8674776 0.91 NPC1 (0.41) NPC1RAB9AMDM4MDM2MLYCD

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351571-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES Bayer CropScience AG (DE) 2003-10-15 EP claimed
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 CN claimed
CN-1391439-A Synergistic herbicidal active substance combinations BAYER AG (DE) 2003-01-15 CN claimed
EP-1221848-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES Bayer Aktiengesellschaft (DE) 2002-07-17 EP claimed
WO-2001035740-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO claimed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO claimed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP claimed
EP-0407341-B1 Selective herbicidal agent CIBA GEIGY AG (CH) 1995-12-06 EP claimed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US claimed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP claimed
US-5059239-A Preemergence; postemergence; grains CIBA-GEIGY CORPORATION (US) 1991-10-22 US claimed
EP-0191736-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1991-07-17 EP claimed
EP-0407341-A1 Selective herbicidal agent CIBA-GEIGY AG (CH) 1991-01-09 EP claimed
EP-0236273-B1 SYNERGETIC COMPOSITIONS AND PROCESS FOR SELECTIVE WEED KILLING IN CEREALS CIBA-GEIGY AG (CH) 1990-08-08 EP claimed
EP-0258184-A2 Quinoline derivatives as herbicide antagonists for cultivated plants CIBA-GEIGY AG (CH) 1988-03-02 EP claimed
EP-0191736-A2 Use of quinoline derivatives for the protection of crop plants CIBA-GEIGY AG (CH) 1986-08-20 EP claimed
US-20170042157-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC SULFONYLUREAS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US disclosed
US-20140243199-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC SULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2014-08-28 US disclosed
EP-0258184-A2 Quinoline derivatives as herbicide antagonists for cultivated plants CIBA-GEIGY AG (CH) 1988-03-02 EP disclosed
EP-0191736-A2 Use of quinoline derivatives for the protection of crop plants CIBA-GEIGY AG (CH) 1986-08-20 EP 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-20170042157-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC SULFONYLUREAS GSTM2, GSTM1, CHRM2 NPC1 3947/4885RAB9A 2680/4885MDM4 1610/4885
US-20140243199-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC SULFONYLUREAS SLC16A3, SLC16A7, MTX2 NPC1 4782/4885RAB9A 4431/4885MDM4 3075/4885

“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.