Sugi Predict

Sugi Predict / Compounds / SCHEMBL684040

SCHEMBL684040

SCHEMBL684040

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.57
▸ KDM1A O60341 2/20 0.51
▸ P2RX1 P51575 2/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ P2RX7 Q99572 1/20 0.51
▸ TMPRSS4 Q9NRS4 1/20 0.51
▸ MTOR P42345 2/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL684038 0.87 CYP3A4 (0.59) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL685108 0.86 CYP3A4 (0.57) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL683714 0.86 CYP3A4 (0.64) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL423694 0.86 CYP3A4 (0.64) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL685348 0.85 RAB9A (0.59) CYP3A4KDM1AMTORRAB9ANPC1
SCHEMBL685046 0.84 KDM1A (0.52) CYP3A4KDM1AP2RX1P2RX4P2RX7
SCHEMBL684677 0.84 KDM1A (0.50) CYP3A4KDM1AMTORRAB9ANPC1
SCHEMBL684831 0.83 GAA (0.55) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL685110 0.82 KDM1A (0.75) CYP3A4KDM1AMTORRAB9ANPC1
SCHEMBL685066 0.81 P2RX1 (0.55) CYP3A4KDM1AP2RX1MTORRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 — — US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 — — US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 — — US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 — — 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 (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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 CYP3A4 48/4885KDM1A 484/4885P2RX1 2503/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CYP3A4 71/4885KDM1A 291/4885P2RX1 2807/4885

“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.