SCHEMBL2156590

SCHEMBL2156590

CC(=O)NCCNc1ccc(CCN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ F13A1 P00488 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ PAOX Q6QHF9 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ ACACB O00763 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41

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
SCHEMBL10826205 0.83 MTNR1A (0.50) KDM4EF13A1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL10070605 0.80 TAAR1 (0.38) KDM4ESMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL22645024 0.80 NAMPT (0.49) MAPT
SCHEMBL171693 0.78 MAPT (0.65) KDM4EF13A1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL8535693 0.78 KDM4E (0.59) KDM4EF13A1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL24541407 0.78 KMT2A (0.59) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1469234 0.78 AOC3 (0.59) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
Sulfuric Acid SCHEMBL11083725 0.77 PKM (0.47) KDM4ESMN1; SMN2ALDH1A1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL20771919 0.76 AOC3 (0.62) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL18673198 0.76 MTNR1A (0.42) KDM4EF13A1SMN1; SMN2ALDH1A1MTNR1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 — — US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 — — US disclosed
US-7972388-B2 Methods and kits for maintaining the condition of colored hair L'OREAL S.A. (FR) 2011-07-05 — — US disclosed
US-20100254924-A1 METHODS AND KITS FOR MAINTAINING THE CONDITION OF COLORED HAIR LORÉAL (FR) 2010-10-07 — — US disclosed
US-20100233114-A1 METHODS OF STYLING HAIR L'ORéAL S.A. (FR) 2010-09-16 — — US disclosed
US-7696140-B2 Composition containing a phospholipid and quaternary ammonium polymer L'OREAL S.A. (FR) 2010-04-13 — — US disclosed
US-7611544-B2 Methods of artificially coloring hair L'OREAL S.A. (FR) 2009-11-03 — — US disclosed
US-7601179-B2 Methods of preserving artificial coloring on keratin materials L'OREAL S.A. (FR) 2009-10-13 — — US disclosed
US-20090074701-A1 METHODS OF ARTIFICIALLY COLORING HAIR L'OREAL S.A. (FR) 2009-03-19 — — US disclosed
US-20090074702-A1 applying to an artificially-colored haira formulation comprising siloxysilicate resin and hexamethylene undecanamide (nylon 6,11/dimethicone copolymer, forms a film on the hair which fixes the artificial colorant to the hair L'OREAL S.A. (FR) 2009-03-19 — — US disclosed
US-20080124296-A1 COMPOSITIONS CONTAINING MICROSPHERES L'OREAL S.A. (FR) 2008-05-29 — — US disclosed
WO-2008042606-A2 COMPOSITIONS CONTAINING QUATERNARY AMMONIUM POLYMERS L'OREAL S.A. (FR) 2008-04-10 — — WO disclosed
US-20080085849-A1 Compositions containing quaternary ammonium polymers L'OREAL (FR) 2008-04-10 — — US disclosed
US-20070256254-A1 Conditioning cream color base having improved color deposition properties L'OREAL (FR) 2007-11-08 — — US disclosed
EP-1852103-A2 Conditioning cream color base having good color deposition properties. L'Oréal (FR) 2007-11-07 — — EP disclosed
US-5900028-A Oxidation dye composition for keratin fibres comprising 2-amino-3-hydroxypyridine and a P-phenylenediamine or P-aminophenol oxidation base, and dyeing process L 'OREAL (FR) 1999-05-04 — — 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 (6 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-20090074701-A1 METHODS OF ARTIFICIALLY COLORING HAIR HDAC10, RARA, PRDM7 KDM4E 936/4885F13A1 2625/4885SMN1; SMN2 3944/4885
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 KDM4E 3952/4885F13A1 2447/4885SMN1; SMN2 4178/4885
US-20090074702-A1 applying to an artificially-colored haira formulation comprising siloxysilicate resin and hexamethylene undecanamide (nylon 6,11/dimethicone copolymer, forms a film on the hair which fixes the artificial colorant to the hair KRT18, CUTA, KDM6A KDM4E 69/4885F13A1 719/4885SMN1; SMN2 3816/4885
US-20100254924-A1 METHODS AND KITS FOR MAINTAINING THE CONDITION OF COLORED HAIR CUTA, CYP11A1, TYR KDM4E 648/4885F13A1 4054/4885SMN1; SMN2 4167/4885
US-20100233114-A1 METHODS OF STYLING HAIR KRT18, SUCLG1, PIK3C3 KDM4E 607/4885F13A1 517/4885SMN1; SMN2 4286/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 KDM4E 3952/4885F13A1 2447/4885SMN1; SMN2 4178/4885

“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.

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