SCHEMBL4715968

SCHEMBL4715968

Fc1cc(F)c(-c2c(Cl)nc3cncnc3c2Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CSNK2A1 P68400 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4718007 0.79 CSNK2A1 (0.32) CYP1A2CYP3A4TSHRCLK4CSNK2A1
SCHEMBL4718820 0.77
SCHEMBL1883294 0.77 TOP1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5223150 0.73
SCHEMBL1892023 0.73 F7 (0.38)
SCHEMBL4160162 0.71
SCHEMBL4151460 0.71 PRKD3 (0.33)
SCHEMBL4162294 0.71
SCHEMBL29936937 0.68 RAB9A (0.35) CYP1A2CYP3A4TSHRCLK4CSNK2A1
SCHEMBL4927478 0.66 NOS1 (0.44) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287472-A1 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-20 US disclosed
US-20080287472-A1 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-20 US disclosed
US-20080287472-A1 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-20 US disclosed
EP-1575949-B1 FUNGICIDES SYNGENTA LTD (GB) 2008-04-02 EP disclosed
EP-1575949-B1 FUNGICIDES SYNGENTA LTD (GB) 2008-04-02 EP disclosed
US-20070066605-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2007-03-22 US disclosed
US-20070066605-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2007-03-22 US disclosed
US-20070066605-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2007-03-22 US disclosed
EP-1575949-A1 FUNGICIDES Syngenta Limited (GB) 2005-09-21 EP disclosed
WO-2004056826-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-07-08 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-20080287472-A1 Fungicides PNPO, CYP4X1, CYP1A2 CYP1A2 3/4885CYP3A4 12/4885TSHR 3611/4885
US-20070066605-A1 Fungicides CYP4X1, CYP4F8, CBR3 CYP1A2 26/4885CYP3A4 21/4885TSHR 93/4885

“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.