SCHEMBL4100165

SCHEMBL4100165

c1ccc(N=C(NNc2ccccc2)Nc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
KMT2A Q03164 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
LMNA P02545 1/20 0.53
CYP2D6 P10635 1/20 0.53
SLC6A2 P23975 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CRHR1 P34998 3/20 0.53
F2 P00734 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 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
SCHEMBL10901551 1.00 TDP1 (0.53) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL10902928 0.90 CRHR1 (0.49) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL10902931 0.90 CRHR1 (0.49) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL6154347 0.90 KMT2A (0.59) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL78799 0.86 KMT2A (0.63) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL10902879 0.84 PTGS2 (0.50) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL10902876 0.84 PTGS2 (0.50) TDP1KMT2AGRIN2DGRIN3BLMNA
Hydrochloric Acid SCHEMBL3143816 0.84 KMT2A (0.61) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL20787650 0.80 KMT2A (0.57) TDP1KMT2AGRIN2DGRIN3BLMNA
SCHEMBL871274 0.80 KMT2A (0.57) TDP1KMT2AGRIN2DGRIN3BLMNA

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-4615970-A TRIAZOLE ANTIFOGGING COMPOUNDS AND SALTS PLUS POLYOXYETHYLENE GLYOL DERIVATIVES; QUICK PROCESSING FUJI PHOTO FILM CO., LTD. (JP) 1986-10-07 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 TDP1 1124/4885KMT2A 322/4885GRIN2D 3517/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TDP1 2777/4885KMT2A 555/4885GRIN2D 4051/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TDP1 2495/4885KMT2A 949/4885GRIN2D 3948/4885
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 TDP1 2060/4885KMT2A 665/4885GRIN2D 1364/4885

“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.