SCHEMBL6603686

SCHEMBL6603686

N/C(=N\O)c1nccnc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
LRRK2 Q5S007 3/20 0.38
POLB P06746 2/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTK2 Q05397 1/20 0.35
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL6603689 1.00 KDM4E (0.41) KDM4EGAACYP1A2CYP2C9LRRK2
SCHEMBL6600850 0.85 MAPK1 (0.44) KDM4EGAACYP1A2CYP2C9JAK3
SCHEMBL6600852 0.85 MAPK1 (0.44) KDM4EGAACYP1A2CYP2C9JAK3
SCHEMBL6600981 0.81 HRH4 (0.41) GAAKMT2ANPC1RAB9A
SCHEMBL6600985 0.81 HRH4 (0.41) GAAKMT2ANPC1RAB9A
SCHEMBL15733283 0.81 AURKA (0.47) KDM4EGAACYP1A2CYP2C9LRRK2
SCHEMBL2514029 0.76 ALDH1A1 (0.39) KDM4EGAACYP1A2POLBALDH1A1
SCHEMBL2514031 0.76 ALDH1A1 (0.39) KDM4EGAACYP1A2POLBALDH1A1
SCHEMBL30855570 0.76 POLB (0.52) KDM4EGAACYP1A2CYP2C9LRRK2
SCHEMBL5466087 0.76 POLB (0.52) KDM4EGAACYP1A2CYP2C9LRRK2

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 3 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
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 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 1708/4885GAA 2209/4885CYP1A2 28/4885

“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.