SCHEMBL6300142

SCHEMBL6300142

COC1=C(C)C(=O)c2ncccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 4/20 0.71
PADI1 Q9ULC6 3/20 0.71
PADI3 Q9ULW8 3/20 0.71
PADI4 Q9UM07 3/20 0.71
PADI2 Q9Y2J8 3/20 0.71
HKDC1 Q2TB90 2/20 0.71
ATG4B Q9Y4P1 1/20 0.71
CDC25B P30305 4/20 0.58
CDC25A P30304 2/20 0.58
TDP2 O95551 5/20 0.57
NSD2 O96028 3/20 0.57
PAX8 Q06710 3/20 0.57
BLM P54132 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ABL1 P00519 1/20 0.57
PLCG1 P19174 1/20 0.57
CES1 P23141 1/20 0.57
RIN1 Q13671 1/20 0.57
MEN1 O00255 1/20 0.57
THRB P10828 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
SCHEMBL7689806 0.89 S100A4 (0.75) S100A4PADI1PADI3PADI4PADI2
SCHEMBL2599160 0.83 S100A4 (1.00) S100A4PADI1PADI3PADI4PADI2
SCHEMBL9669361 0.83 S100A4 (0.69) S100A4PADI1PADI3PADI4PADI2
SCHEMBL7689709 0.81 S100A4 (0.56) S100A4PADI1PADI3PADI4PADI2
SCHEMBL7690116 0.79 S100A4 (0.69) S100A4PADI1PADI3PADI4PADI2
SCHEMBL5915065 0.78 TDP2 (0.81) S100A4PADI1PADI3PADI4PADI2
SCHEMBL7688745 0.78 S100A4 (0.52) S100A4PADI1PADI3PADI4PADI2
SCHEMBL12033684 0.76 MEN1 (0.59) S100A4PADI1PADI3PADI4PADI2
SCHEMBL5915061 0.76 GAA (0.86) S100A4PADI1PADI3PADI4PADI2
SCHEMBL12181881 0.76 S100A4 (0.75) S100A4PADI1PADI3PADI4PADI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841555-B2 Lavendamycin analogs, quinoline-5,8-diones and methods of using them BALL STATE UNIVERSITY (US) 2005-01-11 US disclosed
US-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM BALL STATE UNIVERSITY 2004-12-09 US disclosed
US-6444684-B1 ANTIBIOTIC AND ANTI-HIV REVERSE TRANSCRIPTASE (HIV-RT) ACTIVITY; TREATING HIV INFECTION AND ALSO WITH AZT; ANTITUMOR BALL STATE UNIVERSITY 2002-09-03 US disclosed
US-6030983-A ANTITUMOR AND -CARCINOGENIC AGENTS; ANTIBIOTICS; BACTERICIDES; VIRICIDES; PARACITICIDES; ENZYME INHIBITORS; POLYMERASES; FARNESYL-PROTEIN TRANSFERASE; RAS PROTEINS BALL STATE UNIVERSITY (US) 2000-02-29 US disclosed
US-5712289-A ANTITUMOR AGENTS, INTERMEDIATES FOR LAVENDAMYCINS BALL STATE UNIVERSITY (US) 1998-01-27 US disclosed
EP-0701557-A4 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1997-07-09 EP disclosed
US-5646150-A ADMINISTERING AS ANTITUMOR AGENT, ANTIPROTOZOA AGENT, VIRICIDE, PARASITICIDE, OR BACTERICIDE BALL STATE UNIVERSITY (US) 1997-07-08 US disclosed
US-5525611-A ANTITUMOR AGENT, BACTERICIDES, VIRICIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1996-06-11 US disclosed
EP-0701557-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ, Mohammad (US) 1996-03-20 EP disclosed
WO-1994029308-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1994-12-22 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-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM LSS, CYP51A1, COX5A S100A4 4553/4885PADI1 1956/4885PADI3 2516/4885

“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.