SCHEMBL4094802

SCHEMBL4094802

N=C(NC(N)=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 4/20 0.50
MAPK1 P28482 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.48
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4094804 0.87 GRIN2D (0.53) KDM4EMEN1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL19371416 0.86 ALDH1A1 (0.51) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL29958946 0.85 GRIN2D (0.60) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL167598 0.85 GRIN2D (0.60) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL11578654 0.81 RAB9A (0.40) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27391930 0.81 MEN1 (0.49) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL10310194 0.80 GRIN2D (0.58) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL11054417 0.80 MEN1 (0.51) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL11580678 0.80 RAB9A (0.39) KDM4EMEN1KMT2ASMN1; SMN2GAA
SCHEMBL11579869 0.80 MAPT (0.47) KDM4EMEN1KMT2AALDH1A1SMN1; 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 8 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-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 US 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 KDM4E 308/4885MEN1 261/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KDM4E 251/4885MEN1 294/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KDM4E 419/4885MEN1 237/4885KMT2A 949/4885
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 KDM4E 1258/4885MEN1 455/4885KMT2A 665/4885

“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.