SCHEMBL6300146

SCHEMBL6300146

Nc1ccc2ccc(CC(=O)O)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL20480384 0.81 CAMK2A (0.42) KMT2AMEN1LMNACYP1A2ALDH1A1
SCHEMBL27561346 0.79 CYSLTR2 (0.48) LMNACYP1A2PTGDR2KDM4E
SCHEMBL30009200 0.79 BACE1 (0.46) KDRHTTCYP1A2MAPTAKR1B1
SCHEMBL28500268 0.79 TLR9 (0.42) KMT2AMEN1F2LMNACHRM2
SCHEMBL6299614 0.78 HSD17B10 (0.38) KMT2AMEN1LMNAHSD17B14GABRA5
SCHEMBL140815 0.77 CYP1A2 (0.65) KMT2AMEN1CYP1A2ALDH1A1AKR1B1
Anthracene SCHEMBL10418177 0.76 CYP1A2 (0.59) KMT2AMEN1CYP1A2ALDH1A1AKR1B1
SCHEMBL3361769 0.73 MGAM (0.58) KMT2AMEN1F2LMNACHRM2
Acetic Acid SCHEMBL27459479 0.72 CYP1A2 (0.64) KMT2AMEN1CYP1A2ALDH1A1MAPT
SCHEMBL14610935 0.71 CCR1 (0.54) LMNAGABRA5GABRB2HSD17B10CYP1A2

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 KMT2A 1940/4885MEN1 2336/4885F2 3884/4885

“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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