SCHEMBL5544784

SCHEMBL5544784

NCCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
TOP2A P11388 2/20 0.54
TOP2B Q02880 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TOP1 P11387 3/20 0.52
GSK3B P49841 3/20 0.51
KCNH2 Q12809 2/20 0.48
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL5549146 0.97 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3975715 0.94 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL31402735 0.94 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL30748683 0.93 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL4914817 0.93 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6309165 0.92 KDM4E (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4392662 0.89 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819280 0.88 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3809858 0.88 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819196 0.87 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453846-B1 14 OR 15 MEMBERED MACROLIDES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2007-05-16 EP disclosed
US-7202221-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-04-10 US disclosed
CN-1307194-C Macrolides GLAXO GROUP LTD (GB) 2007-03-28 CN disclosed
US-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US disclosed
CN-1612888-A Macrolides GLAXO GROUP LTD (GB) 2005-05-04 CN disclosed
US-20050080025-A1 Macrolides PLIVA D.D. (HR) 2005-04-14 US disclosed
EP-1230235-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES New Pharma Research Sweden AB (SE) 2002-08-14 EP disclosed
WO-2001036408-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-25 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-20050080025-A1 Macrolides IL17A, CYP51A1, IL15 KDM4E 2733/4885ALDH1A1 2889/4885LMNA 1397/4885

“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.