SCHEMBL5741253

SCHEMBL5741253

O=C(O)C=Cc1ccc2c(c1)CCC2NCCc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 5/20 0.49
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
KCNH2 Q12809 1/20 0.46
MTNR1A P48039 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL5741250 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5744492 0.99 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5744501 0.99 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL22516776 0.95 MEN1 (0.51) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL22516782 0.92 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5991491 0.91 HDAC1 (0.60) MEN1KMT2AHDAC1HDAC3HDAC4
SCHEMBL5994490 0.91 HDAC1 (0.60) MEN1KMT2AHDAC1HDAC3HDAC4
SCHEMBL30985375 0.91 HDAC1 (0.60) MEN1KMT2AHDAC1HDAC3HDAC4
SCHEMBL5991499 0.91 HDAC1 (0.60) MEN1KMT2AHDAC1HDAC3HDAC4
SCHEMBL5991498 0.91 HDAC1 (0.60) MEN1KMT2AHDAC1HDAC3HDAC4

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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 US disclosed
EP-1620397-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004094376-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO 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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 MEN1 1297/4885KMT2A 663/4885ALDH1A1 569/4885

“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.