SCHEMBL4101663

SCHEMBL4101663

Cc1cc(C)nc(NC(N)=NOCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
RAB9A P51151 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 1/20 0.50
ADORA2A P29274 3/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL10388188 1.00 LMNA (0.54) LMNARAB9AMEN1KMT2APOLB
SCHEMBL4101661 1.00 LMNA (0.54) LMNARAB9AMEN1KMT2APOLB
SCHEMBL4099782 0.81 RAB9A (0.50) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4099785 0.81 RAB9A (0.50) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10642019 0.79 ALDH1A1 (0.39) LMNARAB9AMEN1KMT2APOLB
SCHEMBL10642010 0.79 ALDH1A1 (0.39) LMNARAB9AMEN1KMT2APOLB
SCHEMBL10925565 0.78 RAB9A (0.48) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10925570 0.78 RAB9A (0.48) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2801062 0.78 ADORA2A (0.73) LMNARAB9AMEN1KMT2APOLB
SCHEMBL10504753 0.76 MEN1 (0.46) LMNARAB9AMEN1KMT2ASMN1; SMN2

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 12 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
US-RE33298-E PREEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
US-4820337-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
US-4666505-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-19 US disclosed
US-4658027-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-04-14 US disclosed
EP-0173322-A1 1-(2-Oxyaminosulfonylphenyl-sulfonyl)-3-heteroaryl ureas BAYER AG (DE) 1986-03-05 EP disclosed
EP-0173317-A1 Unsymmetrical sulfonyl guanidines BAYER AG (DE) 1986-03-05 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 LMNA 117/4885RAB9A 2870/4885MEN1 261/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LMNA 132/4885RAB9A 1539/4885MEN1 294/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LMNA 85/4885RAB9A 2224/4885MEN1 237/4885
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 LMNA 129/4885RAB9A 1450/4885MEN1 455/4885

“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.