SCHEMBL4100494

SCHEMBL4100494

N=C(N)N/N=C/c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GRK2 P25098 2/20 0.47
MAPT P10636 2/20 0.47
ROCK2 O75116 1/20 0.47
GRK5 P34947 1/20 0.46
GRK3 P35626 1/20 0.46

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
SCHEMBL4100496 1.00 CTH (0.54) CTHMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10054978 0.86 KDM4E (0.63) MEN1KMT2AL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL19449709 0.85 CTH (0.57) CTHMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL13380947 0.85 CTH (0.57) CTHMEN1KMT2AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL17560849 0.83 CTH (0.56) CTHMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL433677 0.81 KDM4E (0.75) CTHCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL10624649 0.81 MEN1 (0.61) CTHMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10624644 0.81 MEN1 (0.61) CTHMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL433678 0.81 KDM4E (0.75) CTHCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL924522 0.81 MEN1 (0.60) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19

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-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 CTH 896/4885MEN1 261/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CTH 3536/4885MEN1 294/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CTH 3338/4885MEN1 237/4885KMT2A 949/4885
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 CTH 16/4885MEN1 455/4885KMT2A 665/4885

“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.