SCHEMBL6727221

SCHEMBL6727221

COc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
F10 P00742 2/20 0.48
NPSR1 Q6W5P4 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 3/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KMT2A Q03164 2/20 0.44
PPP1CA P62136 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6719360 0.85 F10 (0.61) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6719372 0.83 ADORA2A (0.49) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6730701 0.83 ADORA2A (0.51) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6719832 0.82 ADORA2A (0.48) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6727035 0.81 KDM4E (0.49) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6719902 0.80 F10 (0.58) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6719376 0.78 F10 (0.58) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6724192 0.78 F10 (0.58) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6723916 0.76 F10 (0.56) ADORA2AF10NPSR1L3MBTL1CYP1A2
SCHEMBL6727095 0.75 F10 (0.58) ADORA2AF10KDM4EALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673745-B2 Herbicidal 3,5-difluoropyridines BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US claimed
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP claimed
US-20010011064-A1 Herbicidal 3,5-difluoropyridines AMERICAN CYANAMID COMPANY (US) 2001-08-02 US claimed
EP-0887343-A1 Herbicidal 3,5-difluoropyridines American Cyanamid Company (US) 1998-12-30 EP claimed
US-6673745-B2 Herbicidal 3,5-difluoropyridines BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP disclosed
US-6310006-B1 CONTROLLING WEEDS AMERICAN CYANAMID COMPANY 2001-10-30 US disclosed
US-20010011064-A1 Herbicidal 3,5-difluoropyridines AMERICAN CYANAMID COMPANY (US) 2001-08-02 US disclosed
EP-0887343-A1 Herbicidal 3,5-difluoropyridines American Cyanamid Company (US) 1998-12-30 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 (1 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-20010011064-A1 Herbicidal 3,5-difluoropyridines DDT, CYP1B1, NQO2 ADORA2A 1964/4885F10 4430/4885NPSR1 3079/4885

“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.