SCHEMBL4093650

SCHEMBL4093650

COCc1cc(O)nc(NC(=N)Nc2ccccc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 4/20 0.36
POLB P06746 3/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL4094817 0.83 TSHR (0.42) LMNAALDH1A1KMT2AHTTPOLB
SCHEMBL4093898 0.82 L3MBTL1 (0.35) LMNAALDH1A1KMT2ATRPV1HTT
SCHEMBL4097374 0.81 SMN1; SMN2 (0.40) LMNAALDH1A1KMT2ATRPV1HTT
SCHEMBL4097736 0.81 LMNA (0.38) LMNAALDH1A1KMT2ATRPV1HTT
SCHEMBL4110624 0.80 SMN1; SMN2 (0.46) LMNAALDH1A1KMT2ATRPV1HTT
SCHEMBL4110073 0.79 TSHR (0.41) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL4101407 0.78 RAB9A (0.42) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL5923528 0.76 ALDH1A1 (0.39) LMNAALDH1A1KMT2AHTTHPGD
SCHEMBL4104260 0.76 MAPT (0.41) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL4105575 0.76 ALDH1A1 (0.39) LMNAALDH1A1KMT2AHTTNPC1

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 LMNA 117/4885ALDH1A1 1963/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LMNA 132/4885ALDH1A1 1279/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LMNA 85/4885ALDH1A1 1073/4885KMT2A 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 LMNA 129/4885ALDH1A1 1610/4885KMT2A 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.