SCHEMBL4095276

SCHEMBL4095276

N=C(NC(N)=O)Nc1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
HDAC1 Q13547 2/20 0.40
GRK2 P25098 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL4098037 0.87 HTT (0.51) POLBSMN1; SMN2HTTPKMALDH1A1
SCHEMBL4095279 0.87 SMN1; SMN2 (0.40) POLBSMN1; SMN2MAPTHTTPKM
Hydrochloric Acid SCHEMBL16702112 0.85 SMN1; SMN2 (0.39) POLBSMN1; SMN2MAPTHTTPKM
SCHEMBL11259886 0.84 MAPT (0.47) POLBSMN1; SMN2MAPTHTTPKM
SCHEMBL5154487 0.83 SMN1; SMN2 (0.55) POLBSMN1; SMN2MAPTHTTPKM
SCHEMBL11578653 0.81 KMT2A (0.48) MAPTKMT2A
SCHEMBL11581252 0.81 KIF11 (0.42) POLBSMN1; SMN2MAPTPKMMEN1
SCHEMBL11582025 0.81 HDAC1 (0.41) POLBSMN1; SMN2MAPTHTTPKM
SCHEMBL11254202 0.81 ALDH1A1 (0.46) POLBSMN1; SMN2MAPTHTTMEN1
Hydrochloric Acid SCHEMBL30705784 0.81 SMN1; SMN2 (0.54) POLBSMN1; SMN2MAPTHTTPKM

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 7 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
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 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 POLB 1215/4885SMN1; SMN2 3027/4885MAPT 2845/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 POLB 943/4885SMN1; SMN2 3724/4885MAPT 2382/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 POLB 1235/4885SMN1; SMN2 3508/4885MAPT 2407/4885
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 POLB 1287/4885SMN1; SMN2 3800/4885MAPT 3332/4885

“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.