SCHEMBL4093096

SCHEMBL4093096

Cc1cc(O)nc(NC(=N)Nc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.43
OGG1 O15527 1/20 0.43
LMNA P02545 6/20 0.43
SLC2A1 P11166 1/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
USP2 O75604 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL4097485 0.85 RAB9A (0.44) RAB9AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL4111655 0.85 LMNA (0.42) RAB9ALMNAHTTKDM4EMAPT
SCHEMBL4106990 0.85 KMT2A (0.56) RAB9AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4105753 0.83 MAPT (0.50) RAB9AALDH1A1GAASLC2A1HTT
SCHEMBL4109140 0.83 NPC1 (0.51) RAB9AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4099104 0.82 MAPT (0.40) RAB9AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5922959 0.82 RAB9A (0.55) RAB9AALDH1A1GAALMNASLC2A1
SCHEMBL4108926 0.82 LMNA (0.49) ALDH1A1GAALMNASLC2A1HTT
SCHEMBL4100307 0.81 KMT2A (0.39) RAB9ALMNAMAPT
SCHEMBL4103203 0.80 NPC1 (0.43) RAB9AALDH1A1GAALMNAHTT

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 RAB9A 2870/4885ALDH1A1 1963/4885GAA 4688/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885ALDH1A1 1279/4885GAA 3613/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885ALDH1A1 1073/4885GAA 4099/4885
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 1450/4885ALDH1A1 1610/4885GAA 1616/4885

“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.