SCHEMBL4095347

SCHEMBL4095347

CCC(=O)Oc1ccc(NC(=N)NC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.54
KMT2A Q03164 10/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 2/20 0.51
ESR1 P03372 2/20 0.50
HIF1A Q16665 2/20 0.50
RECQL P46063 1/20 0.50
OPRK1 P41145 1/20 0.48
ELANE P08246 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 4/20 0.45
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4100953 0.83 RAB9A (0.56) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL4099018 0.82 KMT2A (0.53) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL9823523 0.80 KMT2A (0.70) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL10713248 0.80 RAB9A (0.63) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL18721106 0.80 KMT2A (0.59) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL312147 0.77 KMT2A (0.76) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL11514476 0.76 KMT2A (0.59) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL16681259 0.76 KMT2A (0.67) RAB9AHTTLMNAKMT2ASMN1; SMN2
SCHEMBL18720307 0.76 KMT2A (0.42) RAB9AKMT2ASMN1; SMN2MAPTNPC1
SCHEMBL11426056 0.76 KMT2A (0.54) RAB9AHTTLMNAKMT2ASMN1; SMN2

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 4 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

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 RAB9A 2870/4885HTT 2016/4885LMNA 117/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885HTT 1369/4885LMNA 132/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885HTT 1124/4885LMNA 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 RAB9A 1450/4885HTT 1588/4885LMNA 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.