SCHEMBL1363355

SCHEMBL1363355

CCCCN1C(=O)N(C)C(=O)C1(C)S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 2/20 0.32
HTR6 P50406 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
RGS4 P49798 2/20 0.31
RGS8 P57771 1/20 0.31
PDE4A P27815 1/20 0.30
ADORA2A P29274 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
HTR7 P34969 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1362903 0.89
SCHEMBL1364168 0.82 F2 (0.32)
SCHEMBL1364008 0.82 F2 (0.35) GAATP53MEN1KMT2ACYP3A4
SCHEMBL1363415 0.82 TP53 (0.34) GAATP53MEN1KMT2ACYP3A4
SCHEMBL7217086 0.81 GAA (0.38) GAATP53MEN1KMT2AHTR1A
SCHEMBL1362503 0.79 TP53 (0.34) GAATP53MEN1KMT2AHTR1A
SCHEMBL11681731 0.75 GAA (0.34) GAATP53MEN1KMT2ACYP3A4
SCHEMBL1363432 0.74 PIK3CD (0.33) KMT2APDE4B
SCHEMBL4620469 0.74 PIK3CD (0.33) KMT2APDE4B
SCHEMBL1362555 0.72 RAB9A (0.31)

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-8066977-B2 Agent for permanent hair waving containing heterocyclic mercapto compound SHOWA DENKO K.K. (JP) 2011-11-29 US disclosed
CN-101184528-B Permanent waving agent containing heterocyclic mercapto compound SHOWA DENKO KK 2010-12-29 CN disclosed
EP-1883454-B1 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO KK (JP) 2009-11-04 EP disclosed
US-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound SHOWA DENKO K.K. (JP) 2009-08-20 US disclosed
CN-101184528-A Permanent waving agent containing heterocyclic mercapto compound SHOWA DENKO KK (JP) 2008-05-21 CN disclosed
EP-1883454-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2008-02-06 EP disclosed
WO-2006126729-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2006-11-30 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 (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-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound NSD3, WNT3, MSRB3 GAA 4854/4885TP53 2453/4885MEN1 1249/4885

“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.