SCHEMBL4100236

SCHEMBL4100236

Nc1nsc(Nc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
KMT2A Q03164 5/20 0.61
NPC1 O15118 5/20 0.61
MEN1 O00255 4/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
SCN9A Q15858 1/20 0.58
CSNK2A1 P68400 1/20 0.53
PLK3 Q9H4B4 1/20 0.53
ALDH1A1 P00352 4/20 0.50
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
MAPT P10636 5/20 0.44
GAA P10253 4/20 0.44
BCL6 P41182 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL10939227 0.81 SCN9A (0.59) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL10939231 0.81 SCN9A (0.59) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL4242407 0.77 RAB9A (0.61) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL2210735 0.76 NPC1 (1.00) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL10939936 0.74 SCN9A (0.51) KMT2AMEN1SCN9AALDH1A1ADORA3
SCHEMBL14207827 0.73 KMT2A (0.56) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL11217549 0.73 KMT2A (0.56) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL28972010 0.72 CSNK2A1 (0.51) RAB9AKMT2ANPC1MEN1CASP3
SCHEMBL27199981 0.69 CSNK2A1 (1.00) RAB9AKMT2ANPC1MEN1CSNK2A1
SCHEMBL5444518 0.68 ALDH1A1 (0.52) RAB9AKMT2ANPC1MEN1CASP3

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 2870/4885KMT2A 322/4885NPC1 4841/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885KMT2A 555/4885NPC1 4782/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885KMT2A 949/4885NPC1 4747/4885
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 1450/4885KMT2A 665/4885NPC1 4179/4885

“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.