SCHEMBL4112952

SCHEMBL4112952

CCCSc1nc(N)ns1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.31
SLC29A1 Q99808 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4107752 0.72
SCHEMBL20876894 0.71 LMNA (0.36) ALDH1A1LMNAKMT2ASMN1; SMN2HSD17B10
SCHEMBL24217538 0.68 ALDH1A1 (0.59) ALDH1A1HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL11326800 0.68 ALDH1A1 (1.00) ALDH1A1HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL11801607 0.66 ALDH1A1 (0.53) ALDH1A1HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL11654395 0.65 SMN1; SMN2 (0.42) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL8479039 0.65 ALDH1A1 (0.73) ALDH1A1HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL9826271 0.62 KDM4E (0.38) ALDH1A1HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL6450032 0.60 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL10968344 0.60 KMT2A (0.36) ALDH1A1HPGDLMNAKMT2ASMN1; 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 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 ALDH1A1 1963/4885HPGD 608/4885LMNA 117/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885HPGD 1282/4885LMNA 132/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885HPGD 885/4885LMNA 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 ALDH1A1 1610/4885HPGD 539/4885LMNA 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.