SCHEMBL4093723

SCHEMBL4093723

CC(=N)Nc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
IDO1 P14902 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
EPHX1 P07099 1/20 0.50

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
SCHEMBL7865767 0.85 POLB (0.47) MEN1MAPTKMT2AALDH1A1RAB9A
SCHEMBL2287569 0.83 MEN1 (0.64) MEN1MAPTKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL15527640 0.82 MEN1 (0.62) MEN1MAPTKMT2ALMNAHTT
SCHEMBL10783714 0.80 MEN1 (0.60) MEN1MAPTKMT2ALMNAHTT
SCHEMBL357999 0.80 MEN1 (0.71) MEN1MAPTKMT2ALMNAHTT
SCHEMBL29518687 0.80 MEN1 (0.60) MEN1MAPTKMT2ALMNAHTT
SCHEMBL13584733 0.80 MEN1 (0.60) MEN1MAPTKMT2ALMNAHTT
SCHEMBL8301947 0.80 MEN1 (0.60) MEN1MAPTKMT2ALMNAHTT
SCHEMBL10481432 0.80 IDO1 (0.62) MEN1MAPTKMT2ALMNAHTT
SCHEMBL1184744 0.80 HTR3E (0.61) MEN1MAPTKMT2ALMNAHTT

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 MEN1 261/4885MAPT 2845/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885MAPT 2382/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885MAPT 2407/4885KMT2A 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 MEN1 455/4885MAPT 3332/4885KMT2A 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.