SCHEMBL4099006

SCHEMBL4099006

Cc1cccc(Cl)c1NC(=N)NC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
CHRNA7 P36544 10/20 0.44
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAOB P27338 1/20 0.41
CXCL8 P10145 1/20 0.41

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
Biclodil SCHEMBL1815631 0.89 CYP1A2 (0.49) PDK1PDK2PDK3PDK4POLB
SCHEMBL6692615 0.89 DRD2 (0.54) GAADRD2HTR2AHTR2BPKM
SCHEMBL4099012 0.88 GAA (0.54) GAAPDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL11258555 0.87 PKM (0.55) GAADRD2HTR2AHTR2BPKM
Biclodil SCHEMBL121552 0.87 CYP1A2 (0.47) PDK1PDK2PDK3PDK4POLB
SCHEMBL11269539 0.85 GAA (0.54) GAAPDK1PDK2PDK3PDK4
SCHEMBL11060189 0.85 POLB (0.53) GAAPDK1PDK2PDK3PDK4
SCHEMBL8682011 0.84 GAA (0.60) GAAPDK1PDK2PDK3PDK4
SCHEMBL11093150 0.82 CYP1A2 (0.43) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL11090448 0.82 GAA (0.43) GAAPOLBCYP1A2

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-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
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US 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 GAA 4688/4885PDK1 2221/4885PDK2 2007/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 GAA 3613/4885PDK1 2710/4885PDK2 2025/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 GAA 4099/4885PDK1 3376/4885PDK2 2562/4885
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 GAA 1616/4885PDK1 2833/4885PDK2 1927/4885

“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.