SCHEMBL4099560

SCHEMBL4099560

Cc1cc(O)nc(N=C(N)Nc2ccc(F)c(Cl)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
HCRTR1 O43613 2/20 0.57
CYP2C19 P33261 1/20 0.57
CRHBP P24387 5/20 0.55
CRHR2 Q13324 5/20 0.55
MAPK1 P28482 4/20 0.54
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
NR4A1 P22736 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
RAD52 P43351 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4103206 0.89 CRHBP (0.59) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19
SCHEMBL4111662 0.86 CRHBP (0.66) SMN1; SMN2CYP1A2CYP2D6HCRTR1CRHBP
SCHEMBL4097488 0.84 CRHBP (0.66) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19
SCHEMBL4106995 0.83 CRHBP (0.64) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19
SCHEMBL4110078 0.82 GAA (0.47) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19
SCHEMBL4100308 0.82 ALDH1A1 (0.61) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19
SCHEMBL4099599 0.78 CRHBP (0.78) SMN1; SMN2CYP1A2CYP2D6HCRTR1CRHBP
SCHEMBL4103332 0.78 CRHBP (0.53) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19
SCHEMBL4110628 0.77 RAB9A (0.58) SMN1; SMN2CYP1A2CYP2D6CRHBPCRHR2
SCHEMBL4104154 0.76 KMT2A (0.56) SMN1; SMN2CYP1A2CYP2D6HCRTR1CYP2C19

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 3027/4885CYP1A2 1788/4885CYP2D6 3528/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 SMN1; SMN2 3724/4885CYP1A2 2280/4885CYP2D6 3530/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 SMN1; SMN2 3508/4885CYP1A2 2186/4885CYP2D6 3645/4885
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 3800/4885CYP1A2 2496/4885CYP2D6 2901/4885

“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.