SCHEMBL4112253

SCHEMBL4112253

Cc1cc(O)nc(N=C(N)Nc2cccc(Cl)c2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 2/20 0.52
CYP2D6 P10635 2/20 0.52
CRHBP P24387 4/20 0.51
CRHR2 Q13324 4/20 0.51
NR4A1 P22736 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
AHR P35869 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAD52 P43351 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL4110628 0.91 RAB9A (0.58) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4106995 0.80 CRHBP (0.64) KMT2AMEN1CYP1A2POLBCYP2D6
SCHEMBL4103206 0.79 CRHBP (0.59) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4111662 0.78 CRHBP (0.66) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4103332 0.77 CRHBP (0.53) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4100308 0.76 ALDH1A1 (0.61) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4099560 0.76 SMN1; SMN2 (0.57) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4104154 0.75 KMT2A (0.56) RAB9AKMT2AMEN1CYP1A2POLB
SCHEMBL4112248 0.73 MEN1 (0.48) RAB9AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL14862605 0.73 RAB9A (0.69) RAB9AKMT2AMEN1CYP1A2POLB

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 RAB9A 2870/4885KMT2A 322/4885MEN1 261/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885KMT2A 555/4885MEN1 294/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885KMT2A 949/4885MEN1 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 RAB9A 1450/4885KMT2A 665/4885MEN1 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.