SCHEMBL968219

SCHEMBL968219

O=C(c1ccc(Br)cc1)N1CCC(O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.59
MGLL Q99685 1/20 0.55
HSD11B1 P28845 1/20 0.55
POLB P06746 2/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.51
HDAC4 P56524 1/20 0.51
GRM5 P41594 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
PDK2 Q15119 1/20 0.48
GRM3 Q14832 1/20 0.48

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
SCHEMBL21590166 1.00 L3MBTL3 (0.59) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL968218 1.00 L3MBTL3 (0.59) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL15571566 0.95 L3MBTL3 (0.55) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL16934629 0.95 L3MBTL3 (0.55) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL20913214 0.90 L3MBTL3 (0.50) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL20913217 0.90 L3MBTL3 (0.50) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL5880849 0.90 HPGD (0.68) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL20335412 0.86 HPGD (0.61) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL24185223 0.83 L3MBTL3 (0.59) L3MBTL3L3MBTL1HPGDMGLLHSD11B1
SCHEMBL2993890 0.83 MGLL (0.55) L3MBTL3L3MBTL1MGLLHDAC4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014193647-A2 ALKENYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-12-04 WO disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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 (2 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 L3MBTL3 93/4885L3MBTL1 17/4885HPGD 2051/4885
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 L3MBTL3 2063/4885L3MBTL1 1791/4885HPGD 1963/4885

“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.