Phenyl Biguanide

Phenyl Biguanide

SCHEMBL4100255

N=C(N)N=C(N)Nc1ccccc1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
SLC6A2 P23975 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 2/20 0.54
TAS2R38 P59533 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TYR P14679 1/20 0.54
KDM1A O60341 1/20 0.47

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
Phenyl Biguanide SCHEMBL13919685 1.00 KMT2A (0.57) KMT2AGRIN2DGRIN3BLMNACYP2D6
Phenyl Biguanide SCHEMBL4100253 1.00 KMT2A (0.57) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL15102675 0.82 KMT2A (0.52) KMT2AGRIN2DGRIN3BLMNACYP2D6
4-Chlorophenylbiguanide SCHEMBL30035192 0.80 KCNH2 (0.58) KMT2ALMNACYP2D6SLC6A2SIGMAR1
SCHEMBL24746975 0.78 GRIN2D (0.55) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL14739674 0.76 GRIN2D (0.63) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL14755313 0.76 GRIN2D (0.63) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL10625419 0.76 GRIN2D (0.63) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL249533 0.76 GRIN2D (0.63) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL11655504 0.76 GRIN2D (0.63) KMT2AGRIN2DGRIN3BLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US claimed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US claimed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP claimed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP claimed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 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 (4 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA KMT2A 322/4885GRIN2D 3517/4885GRIN3B 3422/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KMT2A 555/4885GRIN2D 4051/4885GRIN3B 3694/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KMT2A 949/4885GRIN2D 3948/4885GRIN3B 3418/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT KMT2A 665/4885GRIN2D 1364/4885GRIN3B 2065/4885

“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.