SCHEMBL4099470

SCHEMBL4099470

CNC(=N)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPK1 P28482 2/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
EPHX2 P34913 1/20 0.49
FFAR1 O14842 2/20 0.49
S1PR1 P21453 1/20 0.49

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
SCHEMBL4100570 0.95 S1PR1 (0.51) NR1H4HSD17B10SMN1; SMN2HDAC3HDAC4
SCHEMBL4100884 0.94 S1PR1 (0.53) NR1H4HSD17B10EPHX2S1PR1POLB
SCHEMBL4093600 0.91 NR1H4 (0.54) NR1H4EPHX2FFAR1S1PR1POLB
SCHEMBL4110638 0.81 NR1H4 (0.55) NR1H4HSD17B10SMN1; SMN2HDAC3HDAC4
SCHEMBL5366230 0.81 HSD17B10 (0.62) NR1H4HSD17B10SMN1; SMN2HDAC3HDAC4
SCHEMBL4104361 0.81 MEN1 (0.54) NR1H4HSD17B10SMN1; SMN2FFAR1POLB
SCHEMBL8201608 0.81 POLB (0.55) SMN1; SMN2MAPK1POLBMAPTALDH1A1
SCHEMBL15295162 0.80 SMN1; SMN2 (0.60) NR1H4HSD17B10SMN1; SMN2HDAC3HDAC4
SCHEMBL17087191 0.80 HSD17B10 (0.61) NR1H4HSD17B10SMN1; SMN2HDAC3HDAC4
Hydrochloric Acid SCHEMBL10360584 0.80 NR1H4 (0.53) NR1H4HSD17B10SMN1; SMN2HDAC3HDAC4

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 NR1H4 2905/4885HSD17B10 1218/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NR1H4 3875/4885HSD17B10 2197/4885SMN1; SMN2 3724/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NR1H4 3427/4885HSD17B10 1576/4885SMN1; SMN2 3508/4885
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 NR1H4 2022/4885HSD17B10 2663/4885SMN1; SMN2 3800/4885

“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.