Sugi Predict

Sugi Predict / Compounds / SCHEMBL3240252

SCHEMBL3240252

SCHEMBL3240252

CN(Cc1ccc(COc2ncc(-c3cc(Cl)c(O)c(Cl)c3)nn2)cc1)Cc1cccc(-c2ccncc2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 2/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ ACHE P22303 4/20 0.34
▸ MAOB P27338 3/20 0.34
▸ MAOA P21397 2/20 0.34
▸ ACLY P53396 1/20 0.34
▸ CCR5 P51681 1/20 0.33
▸ CYP17A1 P05093 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL3240227 0.93 ACHE (0.35) ACHEMAOBMAOACCR5HDAC1
SCHEMBL3242135 0.92 ACHE (0.38) PRMT6ACHEMAOBMAOACYP19A1
SCHEMBL3232651 0.91 PSMB5 (0.37) ACHEMAOBMAOAACLYCCR5
SCHEMBL3240040 0.91 MAOB (0.38) ACHEMAOBMAOACCR5
SCHEMBL3240828 0.90 CCR5 (0.33) ACHEMAOBMAOACCR5FFAR1
SCHEMBL3245515 0.88 CCR5 (0.42) ACHEMAOBMAOACCR5CYP3A4
SCHEMBL3241929 0.87 ACHE (0.43) ACHEMAOBMAOALMNA
SCHEMBL3238201 0.84 MELK (0.35) CCR5
SCHEMBL3235139 0.84 ACHE (0.35) ACHEMAOBCCR5
SCHEMBL3239897 0.83 HDAC1 (0.36) HDAC1

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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — 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 (3 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 ABHD6 1488/4885MGLL 3352/4885PRMT6 3960/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ABHD6 2437/4885MGLL 3833/4885PRMT6 3989/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ABHD6 2437/4885MGLL 3833/4885PRMT6 3989/4885

“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.