SCHEMBL4097374

SCHEMBL4097374

COCc1cc(O)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP3A4 P08684 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 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
SCHEMBL4110073 0.90 TSHR (0.41) SMN1; SMN2RAB9ATSHRMEN1KMT2A
SCHEMBL4097736 0.88 LMNA (0.38) SMN1; SMN2L3MBTL1RAB9AHPGDTSHR
SCHEMBL4093898 0.84 L3MBTL1 (0.35) SMN1; SMN2L3MBTL1RAB9AHPGDTRPV1
SCHEMBL4105575 0.83 ALDH1A1 (0.39) SMN1; SMN2RAB9AHPGDTSHRHSD17B10
SCHEMBL4104260 0.83 MAPT (0.41) SMN1; SMN2L3MBTL1RAB9AHPGDMEN1
SCHEMBL5923528 0.83 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1HPGDTSHRMEN1
SCHEMBL4094817 0.83 TSHR (0.42) L3MBTL1CYP3A4RAB9AHPGDTSHR
SCHEMBL4093650 0.81 LMNA (0.38) SMN1; SMN2L3MBTL1CYP3A4RAB9AHPGD
SCHEMBL4107920 0.81 TRPV1 (0.44) SMN1; SMN2L3MBTL1RAB9ATSHRTRPV1
SCHEMBL4103203 0.80 NPC1 (0.43) SMN1; SMN2CYP3A4RAB9ATRPV1MEN1

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 SMN1; SMN2 3027/4885L3MBTL1 4634/4885NOTUM 627/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 SMN1; SMN2 3724/4885L3MBTL1 4802/4885NOTUM 1112/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 SMN1; SMN2 3508/4885L3MBTL1 4803/4885NOTUM 743/4885
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 SMN1; SMN2 3800/4885L3MBTL1 1304/4885NOTUM 565/4885

“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.