SCHEMBL4103262

SCHEMBL4103262

N=c1n(CC(=O)O)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.73
LMNA P02545 3/20 0.73
MAPT P10636 5/20 0.69
KDM4E B2RXH2 5/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
TSHR P16473 2/20 0.66
NPSR1 Q6W5P4 2/20 0.63
HTT P42858 3/20 0.62
KMT2A Q03164 4/20 0.61
MITF O75030 2/20 0.61
OXTR P30559 1/20 0.61
AVPR1A P37288 1/20 0.61
BLM P54132 1/20 0.61
MEN1 O00255 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
F2R P25116 1/20 0.57
APEX1 P27695 1/20 0.56
ALDH1A1 P00352 1/20 0.55
SLC5A2 P31639 1/20 0.55
TP53 P04637 1/20 0.52

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
SCHEMBL1170484 0.86 LMNA (1.00) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
Bromide SCHEMBL6748462 0.84 MAPT (0.82) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
SCHEMBL2493669 0.83 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
SCHEMBL4100208 0.81 KDM4E (0.70) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
SCHEMBL2762171 0.81 APEX1 (0.79) SMN1; SMN2LMNAKDM4EKMT2AMEN1
Bromide SCHEMBL6751179 0.81 TSHR (0.63) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
SCHEMBL6746396 0.80 LMNA (0.68) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
Bromide SCHEMBL6752864 0.80 MAPT (0.72) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
SCHEMBL5460666 0.80 MAPT (0.69) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1
SCHEMBL14470550 0.80 MAPT (0.88) SMN1; SMN2LMNAMAPTKDM4EL3MBTL1

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 SMN1; SMN2 3027/4885LMNA 117/4885MAPT 2845/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 SMN1; SMN2 3724/4885LMNA 132/4885MAPT 2382/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 SMN1; SMN2 3508/4885LMNA 85/4885MAPT 2407/4885
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 SMN1; SMN2 3800/4885LMNA 129/4885MAPT 3332/4885

“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.