SCHEMBL4099104

SCHEMBL4099104

Cc1cc(O)nc(NC(=N)Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
SORT1 Q99523 1/20 0.38
AHR P35869 1/20 0.38
PHGDH O43175 1/20 0.38
BAZ1A Q9NRL2 1/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4108926 0.86 LMNA (0.49) MAPTALDH1A1TSHRTRPV1HTT
SCHEMBL4097485 0.85 RAB9A (0.44) MAPTALDH1A1HTTRAB9AMEN1
SCHEMBL4100860 0.84 L3MBTL1 (0.46) MAPTALDH1A1EPHX2TRPV1RAB9A
SCHEMBL4111655 0.82 LMNA (0.42) MAPTHTTRAB9AMEN1KMT2A
SCHEMBL4093096 0.82 RAB9A (0.55) MAPTALDH1A1TSHRHTTRAB9A
SCHEMBL4105753 0.80 MAPT (0.50) MAPTALDH1A1TSHRHTTRAB9A
SCHEMBL5923128 0.79 RAB9A (0.44) MAPTEPHX2HTTRAB9AMEN1
SCHEMBL4103203 0.77 NPC1 (0.43) MAPTALDH1A1EPHX2TRPV1HTT
SCHEMBL14862032 0.77 ALDH1A1 (0.62) MAPTALDH1A1TSHRTRPV1HTT
SCHEMBL4099555 0.77 MEN1 (0.45) MAPTALDH1A1TSHRHTTRAB9A

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 MAPT 2845/4885ALDH1A1 1963/4885TSHR 1694/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MAPT 2382/4885ALDH1A1 1279/4885TSHR 3766/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MAPT 2407/4885ALDH1A1 1073/4885TSHR 3770/4885
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 3332/4885ALDH1A1 1610/4885TSHR 1691/4885

“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.