SCHEMBL8998078

SCHEMBL8998078

C#CCOc1cc(NC(=O)OC)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.44
PGK1 P00558 1/20 0.41
LMNA P02545 5/20 0.40
NPSR1 Q6W5P4 2/20 0.38
DHODH Q02127 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
EGFR P00533 2/20 0.38
HTT P42858 1/20 0.38
ERBB2 P04626 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8998111 0.88 MAOA (0.39) LMNANPSR1DHODHPOLBALDH1A1
SCHEMBL16774399 0.86 DHODH (0.45) CYP2B6PGK1LMNADHODHPOLB
SCHEMBL16774378 0.86 PGK1 (0.41) CYP2B6PGK1LMNADHODHPOLB
SCHEMBL17197232 0.86 LMNA (0.41) CYP2B6PGK1LMNADHODHPOLB
SCHEMBL8982258 0.85 NPC1 (0.46) CYP2B6PGK1LMNADHODHPOLB
SCHEMBL16774525 0.83 PGK1 (0.39) CYP2B6PGK1LMNADHODHPOLB
SCHEMBL4593339 0.83 ALDH1A1 (0.41) CYP2B6PGK1LMNANPSR1DHODH
SCHEMBL4593337 0.83 ALDH1A1 (0.41) CYP2B6PGK1LMNANPSR1DHODH
SCHEMBL7477262 0.81 PGK1 (0.43) CYP2B6PGK1LMNANPSR1DHODH
SCHEMBL19048819 0.81 CYP2B6 (0.36) CYP2B6PGK1LMNADHODHPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
WO-2015081349-A2 COMBINATION OF NOVEL NITRIFICATION INHIBITORS AND HERBICIDES AS WELL AS COMBINATION OF (THIO)PHOSPHORIC ACID TRIAMIDES AND HERBICIDES BASF SE (DE) 2015-06-04 WO disclosed
EP-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 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 (4 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 CYP2B6 289/4885PGK1 1520/4885LMNA 4523/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT CYP2B6 753/4885PGK1 2090/4885LMNA 4763/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 CYP2B6 371/4885PGK1 2111/4885LMNA 4671/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 CYP2B6 136/4885PGK1 2519/4885LMNA 4565/4885

“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.