SCHEMBL3433358

SCHEMBL3433358

Cc1ccc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
CARM1 Q86X55 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
LMNA P02545 2/20 0.31
FFAR1 O14842 3/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
ABL1 P00519 1/20 0.30
NR3C1 P04150 1/20 0.30
MAPT P10636 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL7948892 0.92 HTR7 (0.36) HTR7ADRA1DADRA1AADRA1BCARM1
SCHEMBL9240771 0.84 ADRB2 (0.40) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL9066422 0.84 DCPS (0.39) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL29352185 0.83 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL22188696 0.83 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL117903 0.83 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BLMNA
Bromomethane SCHEMBL3305907 0.81 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL27605123 0.81 LMNA (0.36) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL3433849 0.81 LMNA (0.40) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL7116723 0.81 HTR7 (0.35) HTR7ADRA1DADRA1AADRA1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
EP-1928232-B1 SOLID FORMULATION BAYER IP GMBH (DE) 2016-07-13 EP disclosed
EP-1571908-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2014-12-17 EP disclosed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 US disclosed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 US disclosed
US-8158557-B2 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-8158557-B2 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-20110152082-A1 LIQUID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110152082-A1 LIQUID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20070066487-A1 Solid formulation BAYER CROPSCIENCE GMBH (DE) 2007-03-22 US disclosed
WO-2007028504-A2 NOVEL SULFONAMIDE-CONTAINING SOLID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2007-03-15 WO disclosed
WO-2007028529-A1 STORAGE-STABLE SULPHONAMIDE FORMULATIONS BAYER CROPSCIENCE AG (DE) 2007-03-15 WO disclosed
WO-2007028505-A2 NOVEL SULFONAMIDE-CONTAINING SOLID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2007-03-15 WO disclosed
US-20070054807-A1 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054807-A1 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054805-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054805-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054806-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054806-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US 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 (5 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-20070054806-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 HTR7 4474/4885ADRA1D 3890/4885ADRA1A 3595/4885
US-20070054805-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 HTR7 4543/4885ADRA1D 3890/4885ADRA1A 3603/4885
US-20070066487-A1 Solid formulation SMS, SRM, STS HTR7 3130/4885ADRA1D 4373/4885ADRA1A 4559/4885
US-20110152082-A1 LIQUID FORMULATIONS CBX3, CBX6, IPO11 HTR7 3012/4885ADRA1D 3734/4885ADRA1A 4118/4885
US-20070054807-A1 Storage-stable formulations of sulfonamides STS, ARSA, SMS HTR7 3155/4885ADRA1D 4789/4885ADRA1A 4780/4885

“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.