SCHEMBL6595642

SCHEMBL6595642

N#Cc1nccnc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.45
KHK P50053 1/20 0.45
CTSK P43235 2/20 0.45
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNMA1 Q12791 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LRRK2 Q5S007 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6598196 0.83 MAPT (0.51) KDM4EALDH1A1MAPTHPGDCTSK
SCHEMBL3453428 0.79 MAPT (0.48) KDM4EALDH1A1MAPT
SCHEMBL2077223 0.79 MAPT (0.55) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL2077222 0.79 MAPT (0.51) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL513858 0.77 MAPT (0.50) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL2347506 0.77 CTSK (0.54) KDM4ELMNAALDH1A1HPGDKHK
SCHEMBL13036137 0.76 MAPT (0.49) KDM4ELMNAALDH1A1L3MBTL1MAPT
SCHEMBL20091942 0.76 CTSK (0.50) KDM4EALDH1A1HPGDKHKCTSK
SCHEMBL3357016 0.75 ALDH1A1 (0.60) KDM4ELMNAALDH1A1L3MBTL1MAPT
SCHEMBL30449208 0.75 ALDH1A1 (0.60) KDM4ELMNAALDH1A1L3MBTL1MAPT

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-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US disclosed
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 EP disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 US disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 WO disclosed
US-4442097-A BACTERICIDES, FUNGICIDES MERCK & CO., INC. (US) 1984-04-10 US disclosed
US-4442096-A BACTERICIDES, FUNGICIDES MERCK & CO., INC. (US) 1984-04-10 US disclosed
US-4442095-A BACTERICIDES, FUNGICIDES MERCK & CO., INC. (US) 1984-04-10 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 (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-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 KDM4E 1708/4885LMNA 1661/4885ALDH1A1 376/4885

“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.