SCHEMBL4100208

SCHEMBL4100208

CCn1c(=N)n(CC(=O)O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
HTT P42858 1/20 0.69
HPGD P15428 3/20 0.68
ALDH1A1 P00352 3/20 0.68
TSHR P16473 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CXCR3 P49682 1/20 0.62
MAPT P10636 5/20 0.58
APEX1 P27695 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 2/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL13381832 0.83 HTT (0.97) KDM4EHTTMEN1KMT2ACXCR3
SCHEMBL4103262 0.81 SMN1; SMN2 (0.73) KDM4EHTTALDH1A1TSHRMEN1
SCHEMBL5329443 0.81 APEX1 (0.82) KDM4EHTTHPGDALDH1A1MEN1
SCHEMBL14373587 0.77 CXCR3 (1.00) KDM4EHPGDMEN1KMT2ACXCR3
SCHEMBL5461913 0.77 CXCR3 (0.76) KDM4EHPGDALDH1A1TSHRMEN1
SCHEMBL1521083 0.74 ALDH1A1 (0.59) KDM4EHTTHPGDALDH1A1TSHR
SCHEMBL18180193 0.74 APEX1 (0.77) KDM4EHTTHPGDALDH1A1MEN1
SCHEMBL11808900 0.74 APEX1 (1.00) KDM4EHTTHPGDALDH1A1MEN1
SCHEMBL2347450 0.72 F2R (0.79) KDM4EHPGDALDH1A1TSHRMEN1
SCHEMBL5148368 0.72 CXCR3 (0.54) KDM4EHTTALDH1A1TSHRMEN1

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 308/4885HTT 2016/4885HPGD 608/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KDM4E 251/4885HTT 1369/4885HPGD 1282/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KDM4E 419/4885HTT 1124/4885HPGD 885/4885
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 1258/4885HTT 1588/4885HPGD 539/4885

“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.