SCHEMBL4103106

SCHEMBL4103106

O=P1(Oc2ccc(Cl)cc2)Oc2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 1/20 0.38
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 3/20 0.33
P2RX4 Q99571 2/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PPARA Q07869 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL4102660 0.84 RECQL (0.39) TDP1CA1CA2CA9MEN1
SCHEMBL9122026 0.75 MAPT (0.48) LMNAHPGDKMT2APPARGPPARA
SCHEMBL5805534 0.73 LMNA (0.40) LMNAHPGDMEN1KMT2ASLC6A2
SCHEMBL15456841 0.69 RECQL (0.38) TDP1CA1CA2CA9MEN1
SCHEMBL9122229 0.69 TSHR (0.36) LMNAMEN1KMT2AP2RX4CES2
SCHEMBL9124669 0.69 ABCG2 (0.33) HPGDTSHRGPR84
SCHEMBL4094158 0.66 P2RX4 (0.34) TDP1LMNAHPGDCA1CA2
SCHEMBL5304770 0.65 RECQL (0.35) MAOBTSHRGPR84
SCHEMBL8812215 0.64
SCHEMBL21890921 0.64 ACHE (0.39) TDP1LMNACA1CA2CA9

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20090186874-A1 Carboxamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
WO-2006115286-A1 PIPERIDINE DERIVATIVES, CRYSTAL, PROCESS FOR PRODUCING THE SAME, AND USE AS TACHIKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO disclosed
US-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
EP-1705176-A1 CARBOXAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-09-27 EP disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
US-5409919-A Pharmaceutically acceptable salt of 7B-[2-(5-amino-1,2,4-thio-diazol-3-yl)-2(Z)-metho-xyiminoacetamido]-3-[(imidazo[1,2-b]pyridazinium-1-yl)methyl]-3-cephem-4-carboxylate and composition comprising same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-25 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
US-4642365-A REACTING A PYROCATECHOL DERIVATIVE AND DIHALOPHOSPHOROUS COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-10 US disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0135683-A1 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1985-04-03 EP disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 TDP1 4852/4885ELANE 4378/4885LMNA 2745/4885
US-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use PKD2, PKD1, TACR1 TDP1 4425/4885ELANE 4299/4885LMNA 3685/4885
US-20090186874-A1 Carboxamide derivative and use thereof NTSR2, NTSR1, CNR2 TDP1 4830/4885ELANE 1819/4885LMNA 1568/4885
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 TDP1 4086/4885ELANE 4566/4885LMNA 4687/4885

“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.