SCHEMBL4094817

SCHEMBL4094817

COCc1cc(O)nc(NC(=N)Nc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
VSIR Q9H7M9 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4097736 0.88 LMNA (0.38) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL4105575 0.88 ALDH1A1 (0.39) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL4104260 0.88 MAPT (0.41) ALDH1A1LMNAUSP2HPGDHTT
SCHEMBL4107920 0.87 TRPV1 (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4104137 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL4093898 0.84 L3MBTL1 (0.35) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL4097374 0.83 SMN1; SMN2 (0.40) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL4093650 0.83 LMNA (0.38) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL5923528 0.83 ALDH1A1 (0.39) TSHRALDH1A1LMNAUSP2HPGD
SCHEMBL4101491 0.83 L3MBTL1 (0.41) LMNAHTTMEN1KMT2ARAB9A

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 TSHR 1694/4885ALDH1A1 1963/4885LMNA 117/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TSHR 3766/4885ALDH1A1 1279/4885LMNA 132/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TSHR 3770/4885ALDH1A1 1073/4885LMNA 85/4885
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 TSHR 1691/4885ALDH1A1 1610/4885LMNA 129/4885

“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.