SCHEMBL13056449

SCHEMBL13056449

CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.60
▸ MEN1 O00255 11/20 0.60
▸ POLB P06746 6/20 0.60
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ GAA P10253 8/20 0.55
▸ PSMD14 O00487 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ DUSP3 P51452 1/20 0.48
▸ PTPN5 P54829 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ ARHGEF12 Q9NZN5 1/20 0.47
▸ ERO1A Q96HE7 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL14444419 0.89 KMT2A (0.61) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5454202 0.87 KMT2A (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5454199 0.87 KMT2A (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5444388 0.87 GAA (0.68) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5444385 0.87 GAA (0.68) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL12632696 0.86 KMT2A (0.58) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14444650 0.86 KMT2A (0.58) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14304685 0.85 KMT2A (0.57) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14270436 0.85 KMT2A (0.57) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5442110 0.82 KMT2A (0.58) KMT2AMEN1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — 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-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 KMT2A 3767/4885MEN1 3665/4885POLB 3681/4885

“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.

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