SCHEMBL3585564

SCHEMBL3585564

Fc1cc(F)c(-c2c(Cl)nnc(Cl)c2-c2ccc(Cl)c(Cl)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.43
CYP1B1 Q16678 1/20 0.38
IKBKB O14920 1/20 0.37
EIF4E P06730 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
APP P05067 1/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOTUM Q6P988 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2351307 0.91 IKBKB (0.38) AHRCYP1B1IKBKBEIF4EALDH1A1
SCHEMBL3575367 0.84 NPC1 (0.39) KDM4ECASP1NPC1RAB9ANOTUM
SCHEMBL3580504 0.82 NPC1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1CASP1
SCHEMBL3577089 0.79 CASP1 (0.39) AHRIKBKBMAPTCASP1NPC1
SCHEMBL3572546 0.79 L3MBTL1 (0.38) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL3573800 0.78 IDO1 (0.42) NPC1RAB9ANOTUM
SCHEMBL2354401 0.76 MEN1 (0.35) NPC1RAB9AMEN1KMT2A
SCHEMBL3581885 0.76 NPC1 (0.44) ALDH1A1MAPTKDM4ECASP1NPC1
SCHEMBL3580052 0.76 RAB9A (0.38) IKBKBALDH1A1MAPTKDM4ENPC1
SCHEMBL3582842 0.76 NR3C1 (0.40) ALDH1A1L3MBTL1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US claimed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP claimed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 WO claimed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 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 (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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 AHR 163/4885CYP1B1 7/4885IKBKB 4756/4885

“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.