SCHEMBL5447376

SCHEMBL5447376

COc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.74
MEN1 O00255 9/20 0.74
GAA P10253 7/20 0.74
GFER P55789 1/20 0.74
POLB P06746 5/20 0.66
ALDH1A1 P00352 2/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
NOD1 Q9Y239 1/20 0.60
DYRK1A Q13627 4/20 0.60
PSMD14 O00487 1/20 0.60
MMP2 P08253 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
ERO1A Q96HE7 1/20 0.57

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
SCHEMBL5447373 1.00 KMT2A (0.74) KMT2AMEN1GAAGFERPOLB
SCHEMBL5445737 0.87 POLB (0.67) KMT2AMEN1GAAGFERPOLB
SCHEMBL5445740 0.87 POLB (0.67) KMT2AMEN1GAAGFERPOLB
SCHEMBL15936932 0.84 DYRK1A (0.81) KMT2AMEN1GAAGFERPOLB
SCHEMBL5449380 0.83 POLB (0.78) KMT2AMEN1GAAGFERPOLB
SCHEMBL5449377 0.83 POLB (0.78) KMT2AMEN1GAAGFERPOLB
SCHEMBL15702658 0.83 ALDH1A1 (0.72) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL15702610 0.80 KMT2A (0.67) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL5445717 0.77 KMT2A (0.61) KMT2AMEN1GAAGFERPOLB
SCHEMBL5445714 0.77 KMT2A (0.61) KMT2AMEN1GAAGFERPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 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 (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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 KMT2A 4413/4885MEN1 2963/4885GAA 3492/4885

“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.