SCHEMBL4107487

SCHEMBL4107487

Cn1ccn(C)c1=Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
TTR P02766 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
INMT O95050 1/20 0.33
NQO2 P16083 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL23126437 0.74 ALDH1A1 (0.42) MAPTMAPK1HTTALDH1A1POLB
SCHEMBL11138193 0.68 MEN1 (0.47) MAPTGAAMAPK1ALDH1A1LMNA
SCHEMBL30884239 0.68 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL5935405 0.67 ALDH1A1 (0.36) MAPTGAAMAPK1HTTALDH1A1
SCHEMBL17386483 0.67 MAPT (0.44) MAPTGAAMAPK1HTTALDH1A1
SCHEMBL21913584 0.66 KDM4E (0.35) MAPTGAAALDH1A1POLBLMNA
SCHEMBL11249907 0.65 MAPT (0.43) MAPTGAAMAPK1HTTTTR
SCHEMBL31554164 0.65 GAA (0.31) MAPTGAASMN1; SMN2RAB9A
SCHEMBL2204413 0.64 ALDH1A1 (0.55) MAPTGAAHTTTTRALDH1A1
SCHEMBL18805368 0.64 ALDH1A1 (0.55) MAPTGAAHTTTTRALDH1A1

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
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 EP disclosed
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 MAPT 2845/4885GAA 4688/4885MAPK1 1423/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MAPT 2382/4885GAA 3613/4885MAPK1 944/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MAPT 2407/4885GAA 4099/4885MAPK1 1966/4885
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 MAPT 3332/4885GAA 1616/4885MAPK1 1680/4885

“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.