SCHEMBL4100874

SCHEMBL4100874

CCOc1ccc(CNC(=N)N)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
LMNA P02545 3/20 0.49
NQO1 P15559 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PARP10 Q53GL7 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
XDH P47989 1/20 0.46
ADRA2A P08913 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL18401311 0.87 PTPN7 (0.55) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL14599602 0.86 PRSS1 (0.44) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL10696924 0.84 NAMPT (0.65) NPC1RAB9AEPHX2NR1H4LMNA
SCHEMBL10310255 0.83 ACACB (0.57) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL14599524 0.83 PRMT1 (0.56) PRSS1ADRA2A
SCHEMBL4093144 0.82 ALDH1A1 (0.62) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL3672272 0.81 CYP2C9 (0.48) PRSS1ALDH1A1MEN1KMT2A
SCHEMBL21556996 0.80 PRSS1 (0.43) PRSS1PRSS2PRSS3ADRA2A
SCHEMBL16216269 0.80 MMP13 (0.45) PRSS1LMNARECQLALDH1A1MEN1
SCHEMBL14137986 0.80 MMP13 (0.45) PRSS1LMNARECQLALDH1A1MEN1

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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US 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 (5 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PRSS1 4320/4885PRSS2 4515/4885PRSS3 4049/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA PRSS1 3478/4885PRSS2 3242/4885PRSS3 2207/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 PRSS1 4314/4885PRSS2 3742/4885PRSS3 3079/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 PRSS1 4545/4885PRSS2 4251/4885PRSS3 3269/4885
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 PRSS1 2914/4885PRSS2 2903/4885PRSS3 2582/4885

“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.