SCHEMBL959299

SCHEMBL959299

CCc1cnc(NN)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL3264069 0.78 GRM5 (0.41) KDM4EL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL23094662 0.76 KDM4E (0.46) GAAKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL21755085 0.76 USP2 (0.40) GAAALDH1A1LMNAHPGDRXRA
SCHEMBL20523633 0.74 KDM4E (0.32) KDM4EL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL13662123 0.73 ACACB (0.40) ALDH1A1LMNARXRAGRIN1GRIN2B
SCHEMBL991164 0.72
SCHEMBL2056395 0.72
SCHEMBL27611654 0.71 KDM4E (0.42) GAAKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL406014 0.71 KDM4E (0.47) GAAKDM4EL3MBTL1LMNANOS3
SCHEMBL19390142 0.70 KDM4E (0.34) KDM4EL3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
CN-101938988-B Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2013-06-19 CN disclosed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
CN-101938988-A Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2011-01-05 CN disclosed
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 EP disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 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-20110003817-A1 Whitening Agent And Skin External Preparation TYR, MC1R, RTN3 GAA 2807/4885KDM4E 2446/4885L3MBTL1 4788/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 GAA 1043/4885KDM4E 2591/4885L3MBTL1 1474/4885

“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.