SCHEMBL4097743

SCHEMBL4097743

COCc1cc(O)nc(N=C(N)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 2/20 0.48
CRHBP P24387 5/20 0.47
CRHR2 Q13324 5/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4093904 0.89 GAA (0.49) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4097378 0.89 GAA (0.47) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4105578 0.88 POLB (0.49) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4110078 0.88 GAA (0.47) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4093655 0.82 SMN1; SMN2 (0.45) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4111662 0.80 CRHBP (0.66) POLBGAACRHBPCRHR2LMNA
SCHEMBL4101410 0.76 LMNA (0.42) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4099599 0.74 CRHBP (0.78) POLBGAACRHBPCRHR2LMNA
SCHEMBL4097736 0.74 LMNA (0.38) POLBTSHRCASP1HSD17B10GAA
SCHEMBL4107453 0.73 CRHBP (0.51) POLBGAACRHBPCRHR2LMNA

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 POLB 1215/4885TSHR 1694/4885CASP1 3711/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 POLB 943/4885TSHR 3766/4885CASP1 1919/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 POLB 1235/4885TSHR 3770/4885CASP1 3026/4885
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 POLB 1287/4885TSHR 1691/4885CASP1 3741/4885

“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.