SCHEMBL5748747

SCHEMBL5748747

CN(C)C(=Nc1ccc(Cc2ccc(N=C(N(C)C)N(C)C)cc2)cc1)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
SLC22A2 O15244 1/20 0.47
NOS1 P29475 10/20 0.44
NOS3 P29474 8/20 0.44
NOS2 P35228 8/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLAU P00749 1/20 0.41
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NPY5R Q15761 1/20 0.36
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
SCHEMBL5935352 0.86 ADRA2A (0.44) ADRA2AADRA2BADRA2CSLC22A2NOS1
SCHEMBL27981476 0.83 NOS1 (0.62) ADRA2AADRA2BADRA2CNOS1NOS3
SCHEMBL10533424 0.77 HTR3E (0.54) ADRA2AADRA2BADRA2CSLC22A2NOS1
SCHEMBL19063477 0.76 NOS1 (0.56) ADRA2AADRA2BADRA2CSLC22A2NOS1
SCHEMBL27981468 0.76 HTR3E (0.52) ADRA2AADRA2BADRA2CSLC22A2NOS1
SCHEMBL27981470 0.76 NOS1 (0.56) ADRA2AADRA2BADRA2CSLC22A2NOS1
SCHEMBL16079475 0.75 ADRA2A (0.60) ADRA2AADRA2BADRA2CSLC22A2NOS1
SCHEMBL664694 0.75 NOS1 (0.52) SLC22A2NOS1NOS3NOS2TSHR
SCHEMBL14373123 0.72 NOS3 (0.59) NOS1NOS3NOS2TSHRALDH1A1
SCHEMBL48868 0.71 PLG (0.52) ADRA2AADRA2BADRA2CNOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060269498-A1 Hair shaping composition comprising at least one polyguanidine other than hydroxide L'OREAL S.A. (FR) 2006-11-30 US claimed
EP-1723947-A1 Hair waving composition comprising at least a multiguanidine L'OREAL (FR) 2006-11-22 EP claimed
EP-1723946-A1 Composition for straightening the hair comprising at least one multi-guanidine not being a hydroxide L'OREAL (FR) 2006-11-22 EP disclosed
EP-1723947-A1 Hair waving composition comprising at least a multiguanidine L'OREAL (FR) 2006-11-22 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 (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-20060269498-A1 Hair shaping composition comprising at least one polyguanidine other than hydroxide KRT18, PLOD3, PRKDC ADRA2A 4865/4885ADRA2B 4840/4885ADRA2C 4859/4885

“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.