Sugi Predict

Sugi Predict / Compounds / SCHEMBL13675372

SCHEMBL13675372

SCHEMBL13675372

COc1ccc(-c2cc(=O)n(CCN(C)C)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGIR P43119 2/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KAT2B Q92831 2/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ TGM3 Q08188 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL14573323 0.93 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3937799 0.86 KMT2A (0.63) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13675370 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL394034 0.83 KMT2A (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3945526 0.81 GAA (0.53) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL394333 0.81 MEN1 (0.48) MEN1KMT2APTGIRPTGDRHTT
SCHEMBL394043 0.81 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1KDM4EPTGIR
SCHEMBL13676208 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3947728 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1PTGIRPTGDR
SCHEMBL3939957 0.80 SIGMAR1 (0.52) MEN1KMT2AALDH1A1KDM4EPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-03-12 — — US disclosed
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2008-05-22 — — 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-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MEN1 4730/4885KMT2A 3265/4885ALDH1A1 539/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MEN1 4730/4885KMT2A 3265/4885ALDH1A1 539/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MEN1 4721/4885KMT2A 3295/4885ALDH1A1 626/4885

“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.