SCHEMBL4099599

SCHEMBL4099599

Cc1cc(C)nc(N=C(N)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 5/20 0.78
CRHR2 Q13324 5/20 0.78
MAPK1 P28482 3/20 0.74
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 1/20 0.70
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HCRTR1 O43613 1/20 0.65
RAB9A P51151 3/20 0.64
CYP1A2 P05177 2/20 0.63
POLB P06746 2/20 0.63
CYP2D6 P10635 1/20 0.63
NR4A1 P22736 1/20 0.62
RXFP1 Q9HBX9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL4111662 0.92 CRHBP (0.66) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL10498926 0.84 CRHBP (0.83) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL6513368 0.82 CRHBP (1.00) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL4107453 0.80 CRHBP (0.51) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL10501783 0.79 MAPK1 (0.76) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL4100308 0.78 ALDH1A1 (0.61) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL4103206 0.78 CRHBP (0.59) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL4099560 0.78 SMN1; SMN2 (0.57) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL4097488 0.77 CRHBP (0.66) CRHBPCRHR2MAPK1MEN1KMT2A
SCHEMBL4106995 0.77 CRHBP (0.64) CRHBPCRHR2MAPK1MEN1KMT2A

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 14 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-4880932-A PLANT GROWTH REGULATORS, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
US-4844730-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4797484-A REACTING GUANIDINE DERIVATIVE WITH SULPHONYL HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
US-4743294-A N'-(substituted-1,3,5-triazin-2-yl)-N\"-amino-N\"'-(substituted-benzenesulphonyl)-guanidines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1988-05-10 US disclosed
US-4725305-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-02-16 US disclosed
US-4725303-A N'-(substituted-pyrimidin-2-yl)-N\"-amino-N\"'-(substituted-benzenesulphonyl)-guanidines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1988-02-16 US disclosed
US-4721785-A FOR THE 2-GUANIDINE DERIVATIVE HERBICIDE PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1988-01-26 US disclosed
US-4602938-A N'-(substituted-pyrimidin-2-yl)-N\"-substituted-N\",N\"'-bis-(substituted-benzenesulphonyl)-guanidines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1986-07-29 US 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 CRHBP 1634/4885CRHR2 1027/4885MAPK1 1423/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CRHBP 3712/4885CRHR2 4558/4885MAPK1 944/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CRHBP 3401/4885CRHR2 4458/4885MAPK1 1966/4885
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 CRHBP 3344/4885CRHR2 2469/4885MAPK1 1680/4885

“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.