SCHEMBL6294367

SCHEMBL6294367

CC(=O)NC1=CC(=O)c2ccc(C)nc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.62
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
G6PD P11413 4/20 0.38
NSD2 O96028 3/20 0.38
DNMT1 P26358 2/20 0.38
TDP2 O95551 2/20 0.36
HKDC1 Q2TB90 2/20 0.36
PAX8 Q06710 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL21801779 0.84 S100A4 (0.60) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL6295509 0.83 S100A4 (0.44) S100A4TDP1RAB9AG6PDNSD2
SCHEMBL5925157 0.82 S100A4 (0.43) S100A4NPC1RAB9ATDP2HKDC1
SCHEMBL5925147 0.82 S100A4 (0.58) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL29952191 0.82 S100A4 (0.58) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL21801897 0.78 S100A4 (0.56) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL21801718 0.77 S100A4 (0.58) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL2599397 0.77 S100A4 (1.00) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL21801752 0.76 S100A4 (0.48) S100A4TDP1MEN1NPC1RAB9A
SCHEMBL21801712 0.76 S100A4 (0.57) S100A4TDP1MEN1NPC1RAB9A

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 4553/4885TDP1 2395/4885MEN1 2336/4885

“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.