SCHEMBL5408510

SCHEMBL5408510

CCOC(=O)c1ccc(C(F)(F)F)cc1Cn1nc(Br)n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTGER1 P34995 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 1/20 0.38
CMA1 P23946 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL7017715 0.76 THRB (0.39) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5419988 0.76 PPARD (0.41) KDM4EMRGPRX4PTGER1CMA1PPARG
SCHEMBL5405115 0.76 MRGPRX4 (0.48) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20502400 0.75 ENPP2 (0.52)
SCHEMBL6296496 0.75 CFTR (0.44) KDM4EMRGPRX4PPARGPPARDPPARA
SCHEMBL27472374 0.74 MRGPRX4 (0.47) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27492274 0.73 MAPT (0.37) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8997654 0.73 MRGPRX4 (0.47) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1998616 0.71 CES2 (0.60) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4691963 0.71 CA12 (0.50) KDM4EMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-6924251-B1 Substituted benzoylcyclohexandiones BAYER AKTIENGESELLSCHAFT (DE) 2005-08-02 US disclosed
US-20050079979-A1 Substituted benzoylisoxazoles and the use thereof as herbicides MULLER KLAUS-HELMUT (DE) 2005-04-14 US disclosed
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP disclosed
US-6838415-B1 Substituted benzoylisoxazoles and the use thereof as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20040248740-A1 Substituted benzoylpyrazoles MULLER KLAUS-HELMUT (DE) 2004-12-09 US disclosed
EP-1181280-B1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-12-01 EP disclosed
US-6762152-B1 FOUR TO SEVEN MEMBERED HETEROCYCLES SUBSTITUTED ON BENZENE RING; REACTION OF A KETONE WITH A SUBSTITUTED BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 2004-07-13 US disclosed
CN-1349532-A Substituted benzoyl isoxazoles and their use as herbicides BAYER AG (DE) 2002-05-15 CN disclosed
EP-1181280-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
EP-1178987-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-13 EP disclosed
EP-1165547-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-01-02 EP disclosed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN disclosed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP disclosed
WO-2000068227-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000068204-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000058306-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 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 (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-20040248740-A1 Substituted benzoylpyrazoles CYP1B1, CYP1A1, CYP2E1 KDM4E 1285/4885MAPT 3429/4885NPC1 4168/4885
US-20050079979-A1 Substituted benzoylisoxazoles and the use thereof as herbicides CYP4X1, DDT, GLRX3 KDM4E 2045/4885MAPT 4268/4885NPC1 4623/4885

“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.