SCHEMBL3263226

SCHEMBL3263226

CN(C)N(C)C(=O)CCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 1/20 0.61
KDM2A Q9Y2K7 1/20 0.61
CYP1A2 P05177 2/20 0.34
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRR2 P28476 1/20 0.32
SLC6A1 P30531 1/20 0.32

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
SCHEMBL3259117 0.80 PHF8 (0.41) PHF8KDM2ACYP1A2ALDH1A1LMNA
SCHEMBL3263039 0.80 PHF8 (0.41) PHF8KDM2ACYP1A2ALDH1A1LMNA
SCHEMBL18601411 0.80
SCHEMBL960667 0.80
SCHEMBL3261771 0.79 PHF8 (0.40) PHF8KDM2AGABRPGABRDGABRA1
SCHEMBL3260404 0.79 PHF8 (0.40) PHF8KDM2AGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL711297 0.78 PHF8 (0.48) PHF8KDM2ALMNA
Hydrochloric Acid SCHEMBL3484569 0.78 ALDH1A1 (0.50) PHF8KDM2ACYP1A2PAOXALDH1A1
SCHEMBL21158804 0.78 PHF8 (0.61) PHF8KDM2AALDH1A1HDAC3LMNA
Hydrochloric Acid SCHEMBL958973 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 PHF8 2513/4885KDM2A 4380/4885CYP1A2 3833/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 PHF8 2425/4885KDM2A 4081/4885CYP1A2 3980/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 PHF8 2494/4885KDM2A 4366/4885CYP1A2 3658/4885

“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.