SCHEMBL2678664

SCHEMBL2678664

NC(N)=NCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DHPS P49366 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL6412595 0.98 MEN1 (0.52) TSHRMAPK1MEN1KMT2ACYP1A2
SCHEMBL2730996 0.76 MEN1 (0.41) TSHRMEN1KMT2ACYP1A2ALOX15
SCHEMBL4111817 0.76 MEN1 (0.41) TSHRMEN1KMT2ACYP1A2ALOX15
SCHEMBL4094464 0.76 NOS1 (0.37) MEN1KMT2ACYP1A2ALOX15NFKB1
SCHEMBL6938637 0.76 NOS1 (0.37) MEN1KMT2ACYP1A2ALOX15NFKB1
SCHEMBL8616922 0.76 TSHR (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10298186 0.75 TSHR (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL1427854 0.75
Hydrochloric Acid SCHEMBL1479729 0.75 MEN1 (0.40) TSHRMEN1KMT2ACYP1A2ALOX15
Hydrochloric Acid SCHEMBL17156891 0.75 MEN1 (0.40) TSHRMEN1KMT2ACYP1A2ALOX15

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP claimed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US claimed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US claimed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP claimed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO claimed
JP-11217316-A None JP disclosed
JP-9095477-A None JP disclosed
EP-3861971-B1 ABSORBENT ARTICLE KAO CORP (JP) 2023-12-27 EP disclosed
EP-3861971-A1 ABSORBENT ARTICLE Kao Corporation (JP) 2021-08-11 EP disclosed
JP-2012006840-A COSMETIC KAO CORP 2012-01-12 JP disclosed
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
EP-0904772-A1 SKIN COLOR IMPROVER Kao Corporation (JP) 1999-03-31 EP disclosed
EP-0872228-A1 COSMETOLOGICAL METHODS Kao Corporation (JP) 1998-10-21 EP disclosed
CN-1038248-C Diguanide derivatives, process of preparation thereof and disinfetants containing them OTSUKA CHEMCIAL CO LTD (JP) 1998-05-06 CN disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO disclosed
JP-H0995477-A GUANIDINE DERIVATIVE AND ITS PRODUCTION KAO CORP 1997-04-08 JP disclosed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 CN 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 (2 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 TSHR 1694/4885MAPK1 1423/4885MEN1 261/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TSHR 3766/4885MAPK1 944/4885MEN1 294/4885

“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.