SCHEMBL4099273

SCHEMBL4099273

CN=C(N)Nc1nc(C)c2cc(C)ccc2n1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
KMT2A Q03164 7/20 0.66
ALDH1A1 P00352 6/20 0.66
MEN1 O00255 6/20 0.66
MAPT P10636 8/20 0.65
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
LMNA P02545 11/20 0.63
NPY2R P49146 1/20 0.63
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.54
RAD52 P43351 1/20 0.54
ALOX12 P18054 3/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL4099271 1.00 KDM4E (0.66) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL4095316 0.89 KMT2A (0.66) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL4095314 0.89 KMT2A (0.66) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL3470444 0.82 KDM4E (0.58) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL23657792 0.80 KDM4E (1.00) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL14148998 0.78 KDM4E (0.59) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL6183937 0.75 KDM4E (0.53) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL4310110 0.75 MAPT (0.58) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL4310107 0.75 MAPT (0.58) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL3469723 0.71 KMT2A (0.58) KDM4EKMT2AALDH1A1MEN1MAPT

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 KDM4E 308/4885KMT2A 322/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KDM4E 251/4885KMT2A 555/4885ALDH1A1 1279/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KDM4E 419/4885KMT2A 949/4885ALDH1A1 1073/4885
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 KDM4E 1258/4885KMT2A 665/4885ALDH1A1 1610/4885

“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.