SCHEMBL7786853

SCHEMBL7786853

O=C1N=CC=C2C(=O)c3ccccc3C=C12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.39
CDC25A P30304 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTPRC P08575 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
BCHE P06276 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
CES1 P23141 2/20 0.36
RECQL P46063 2/20 0.36
IDO1 P14902 2/20 0.36
PTPN1 P18031 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1506869 0.89 ABCG2 (0.35) CDC25BCDC25AMEN1KMT2APTPRC
SCHEMBL28494770 0.80 POLB (0.33) KDM4EPOLBMAPTALDH1A1ABCG2
SCHEMBL3444897 0.77 CDC25B (0.57) CDC25BCDC25AMEN1KMT2APTPRC
SCHEMBL7119051 0.73 CDC25B (0.53) CDC25BCDC25AMEN1KMT2APTPRC
SCHEMBL30851365 0.71 TDP2 (0.36) CDC25BMEN1KMT2APTPRCKDM4E
SCHEMBL7915389 0.70 PTPRC (0.46) CDC25BCDC25AMEN1KMT2APTPRC
SCHEMBL29534849 0.70 PTPRC (0.46) CDC25BCDC25AMEN1KMT2APTPRC
SCHEMBL1408501 0.70 BACE1 (0.64) CDC25BCDC25AMEN1KMT2APTPRC
SCHEMBL1899000 0.68 ABCG2 (0.31) ABCG2
SCHEMBL29372537 0.68 ABCG2 (0.31) ABCG2

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-20010056085-A1 Methods of using vesicant drug formulations RAMU AVNER (US) 2001-12-27 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-20010056085-A1 Methods of using vesicant drug formulations UGT1A1, SLC47A1, UGT1A10 CDC25B 803/4885CDC25A 1010/4885MEN1 2517/4885

“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.