SCHEMBL6078083

SCHEMBL6078083

CC(=O)c1cc(C)n(CCO)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
LMNA P02545 3/20 0.40
BAZ2B Q9UIF8 1/20 0.39
GLS O94925 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MARS1 P56192 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1234399 0.84 L3MBTL1 (0.45) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL6078641 0.81 AURKA (0.56) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL6082989 0.81 KDM4E (0.40) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL6078187 0.81 CNR1 (0.45) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL1233462 0.80 CYP1A2 (0.44) KDM4EAURKARPS6KB1LMNAALDH1A1
SCHEMBL22844156 0.80 AURKA (0.41) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL6079097 0.78 GRN (0.49) KDM4EAURKARPS6KB1ALDH1A1POLB
SCHEMBL6078075 0.78 TSHR (0.48) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL6078318 0.76 TSHR (0.39) KDM4EAURKARPS6KB1LMNABAZ2B
SCHEMBL621968 0.75 GLS (0.64) KDM4ELMNAGLSALDH1A1HSD17B10

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
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
CN-1167486-A 2- (pyrazol-3-yl) carbapenem derivatives SMITHKLINE BEECHAM PLC (GB) 1997-12-10 CN disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 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 (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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 KDM4E 154/4885AURKA 2407/4885RPS6KB1 143/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 KDM4E 149/4885AURKA 2595/4885RPS6KB1 113/4885

“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.