SCHEMBL6723781

SCHEMBL6723781

Cc1c(F)c(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
F10 P00742 6/20 0.42
TOP1 P11387 1/20 0.38
F2 P00734 2/20 0.36
CNR1 P21554 2/20 0.35
DHODH Q02127 1/20 0.35
ADORA2A P29274 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARD Q03181 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL6730811 0.88 F10 (0.49) F10F2ADORA2AMAPK14
SCHEMBL6830098 0.87 F10 (0.43) S1PR1F10TOP1F2DHODH
SCHEMBL6724301 0.84 S1PR1 (0.41) S1PR1S1PR3CNR1
SCHEMBL6723778 0.84 F10 (0.42) F10TOP1F2CNR1TRPV1
SCHEMBL6727060 0.84 F10 (0.40) F10TOP1F2DHODHADORA2A
SCHEMBL6719360 0.81 F10 (0.61) F10F2ADORA2A
SCHEMBL7007712 0.80 S1PR1 (0.47) S1PR1S1PR3F10TRPV1PPARD
SCHEMBL6727095 0.78 F10 (0.58) F10F2ADORA2A
SCHEMBL6719376 0.78 F10 (0.58) F10F2ADORA2A
SCHEMBL7011308 0.77 S1PR1 (0.47) S1PR1S1PR3

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 S1PR1 3458/4885S1PR3 2930/4885F10 4430/4885

“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.