Sugi Predict

Sugi Predict / Compounds / SCHEMBL5842976

SCHEMBL5842976

SCHEMBL5842976

O=C(O)C=Cc1c[c]c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.42
▸ TDO2 P48775 1/20 0.41
▸ PTGER3 P43115 3/20 0.40
▸ PTGER2 P43116 3/20 0.40
▸ PTGER1 P34995 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ TBXA2R P21731 2/20 0.38
▸ PTGFR P43088 2/20 0.38
▸ PTGIR P43119 2/20 0.38
▸ PTGDR Q13258 2/20 0.38
▸ ITGB2 P05107 2/20 0.38
▸ ICAM1 P05362 2/20 0.38
▸ ITGAL P20701 2/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 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
SCHEMBL5842973 1.00 MIF (0.42) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL6593312 0.81 ALDH1A1 (0.43) CA1CA2MAPTBACE1LMNA
SCHEMBL6593306 0.81 ALDH1A1 (0.43) CA1CA2MAPTBACE1LMNA
SCHEMBL6592655 0.78 TTR (0.42) CA1CA2MAPTLMNA
SCHEMBL8942468 0.77 MIF (0.53) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL8849999 0.77 MIF (0.53) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL8849971 0.75 MIF (0.51) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL8942312 0.75 MIF (0.51) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL27337550 0.74 TDP1 (0.42) LMNAHTT
SCHEMBL1167316 0.72 TDO2 (0.54) MIFTDO2PTGER3PTGER2PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 — — US disclosed
CN-1171879-C Herbicidal 3-aryl-1,2,4-triazole derivative 拜尔公司 2004-10-20 — — CN 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
CN-1138762-C Phenylpyridazinones — 2004-02-18 — — CN disclosed
US-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-11-06 — — US 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-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 — — WO disclosed
US-6162765-A Substituted N-aryl nitrogen-containing heterocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 — — US disclosed
CN-1192208-A Phenylpyridazinones BAYER AG (DE) 1998-09-02 — — CN 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-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 MIF 3608/4885TDO2 363/4885PTGER3 2301/4885
US-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 MIF 3474/4885TDO2 437/4885PTGER3 1236/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 MIF 3608/4885TDO2 363/4885PTGER3 2301/4885

“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.