SCHEMBL4095314

SCHEMBL4095314

C/N=C(\N)Nc1nc(C)c2ccc(C)cc2n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
KDM4E B2RXH2 6/20 0.66
ALOX12 P18054 4/20 0.62
MAPT P10636 9/20 0.58
ALDH1A1 P00352 8/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 12/20 0.57
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPY2R P49146 1/20 0.51
HPGD P15428 1/20 0.50
TP53 P04637 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
SCHEMBL4095316 1.00 KMT2A (0.66) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL4099273 0.89 KDM4E (0.66) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL4099271 0.89 KDM4E (0.66) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL3469723 0.82 KMT2A (0.58) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL6183774 0.75 KMT2A (0.51) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL27341476 0.71 KMT2A (0.53) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL3470444 0.71 KDM4E (0.58) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL27688040 0.70 RAD52 (0.77) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL23657792 0.70 KDM4E (1.00) KMT2AMEN1KDM4EALOX12MAPT
SCHEMBL26036855 0.69 KDM4E (0.60) KMT2AMEN1KDM4EALOX12MAPT

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 KMT2A 322/4885MEN1 261/4885KDM4E 308/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KMT2A 555/4885MEN1 294/4885KDM4E 251/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KMT2A 949/4885MEN1 237/4885KDM4E 419/4885
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 665/4885MEN1 455/4885KDM4E 1258/4885

“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.