SCHEMBL5844776

SCHEMBL5844776

N#Cc1cc(Cl)[c]cc1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ AR P10275 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ VEGFA P15692 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30
▸ TRPV4 Q9HBA0 2/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL5843075 0.73 XDH (0.41) —
SCHEMBL5843327 0.72 TRPV4 (0.34) TRPV4
SCHEMBL22853019 0.71 TRPV4 (0.39) NOS2CYP2D6SLC6A2SLC6A4TRPV4
SCHEMBL5843080 0.71 TRPV4 (0.45) TRPV4
SCHEMBL28898394 0.70 KCNN4 (0.34) —
SCHEMBL5843414 0.70 TRPV4 (0.38) TRPV4
SCHEMBL25214242 0.70 KCNQ3 (0.36) PDE4BPDE4D
SCHEMBL5843675 0.70 TBK1 (0.42) —
SCHEMBL8669648 0.70 ALDH1A1 (0.44) AR
SCHEMBL5844643 0.70 AR (0.41) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 — — US disclosed
EP-1120411-B1 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-09-22 — — EP disclosed
US-6743755-B2 HERBICIDAL COMPOSITION WHICH HAS A CONTENT OF AT LEAST ONE N-ARYL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OF THE GENERAL METHOD OF COMBATING UNDESIRABLE PLANTS WHICH COMPRISES ALLOWING AN N-ARYL NITROGEN-CONTAINING HETEROCYCLIC BAYER AKTIENGESELLSCHAFT (DE) 2004-06-01 — — US disclosed
US-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-11-06 — — US disclosed
EP-0832072-B1 PHENYLPYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2003-09-24 — — EP disclosed
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-07-31 — — US disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 — — US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 — — US disclosed
US-6426318-B1 KILLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-30 — — US disclosed
EP-1120411-A2 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER AG (DE) 2001-08-01 — — EP disclosed
WO-2000008000-A1 USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-17 — — WO disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 — — WO disclosed
EP-0882027-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AG (DE) 1998-12-09 — — EP disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 — — EP disclosed
EP-0797573-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AG (DE) 1997-10-01 — — EP disclosed
WO-1997030980-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-28 — — WO disclosed
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 — — WO disclosed
WO-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 — — WO disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 — — WO disclosed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 — — 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 (3 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-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 NOS2 659/4885CYP2D6 24/4885SLC6A2 834/4885
US-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 NOS2 3363/4885CYP2D6 1/4885SLC6A2 1986/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 NOS2 659/4885CYP2D6 24/4885SLC6A2 834/4885

“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.

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