SCHEMBL3064890

SCHEMBL3064890

O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
HSP90AA1 P07900 1/20 0.68
MAOB P27338 2/20 0.62
CHRNA7 P36544 1/20 0.62
CXCL12 P48061 1/20 0.62
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
PKM P14618 1/20 0.60
DPP4 P27487 2/20 0.57
PTPN5 P54829 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.55
GAA P10253 1/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
BACE1 P56817 1/20 0.54

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
SCHEMBL3064887 1.00 MAPT (0.68) MAPTKMT2AMEN1HSP90AA1MAOB
SCHEMBL29406300 1.00 MAPT (0.68) MAPTKMT2AMEN1HSP90AA1MAOB
SCHEMBL1225556 0.92 LMNA (0.65) MAPTKMT2AMEN1HSP90AA1MAOB
SCHEMBL1225557 0.92 LMNA (0.65) MAPTKMT2AMEN1HSP90AA1MAOB
Bromide SCHEMBL11834524 0.90 LMNA (0.63) MAPTKMT2AMEN1HSP90AA1MAOB
Bromide SCHEMBL11834530 0.90 LMNA (0.63) MAPTKMT2AMEN1HSP90AA1MAOB
SCHEMBL979672 0.86 MAOB (0.63) MAPTKMT2AMEN1MAOBLMNA
SCHEMBL5454794 0.86 LMNA (0.59) MAPTKMT2AMEN1HSP90AA1MAOB
SCHEMBL5454800 0.86 LMNA (0.59) MAPTKMT2AMEN1HSP90AA1MAOB
SCHEMBL979673 0.86 MAOB (0.63) MAPTKMT2AMEN1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085199-B Chalcone derivative containing sulfonyl piperazine as well as preparation method and application thereof 贵州大学 2023-04-21 CN disclosed
CN-114085199-A Chalcone derivative containing sulfonyl piperazine and preparation method and application thereof 贵州大学 2022-02-25 CN disclosed
US-9512087-B2 Hybrid molecules containing pharmacophores of fluconazole as antifungal agents and their preparation COUNCIL FOR SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-06 US disclosed
EP-2721014-B1 HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION FDC LTD (IN) 2016-10-26 EP disclosed
US-8618327-B2 Antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 US disclosed
US-20130303579-A1 HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-11-14 US disclosed
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 WO disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 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 (4 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-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT MAPT 4708/4885KMT2A 4034/4885MEN1 3582/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 MAPT 4803/4885KMT2A 3806/4885MEN1 3709/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 MAPT 4715/4885KMT2A 3947/4885MEN1 3578/4885
US-20130303579-A1 HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION ERG28, CYP51A1, CYP2F1 MAPT 4343/4885KMT2A 4562/4885MEN1 934/4885

“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.