SCHEMBL4823971

SCHEMBL4823971

COC(=O)c1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)(C)c4ccc(Cl)cc4)c3O)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MAP3K5 Q99683 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KIF11 P52732 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
ACLY P53396 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
IDH1 O75874 2/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL6860447 0.89 CDH1 (0.38) POLBMAP3K5SMN1; SMN2RAB9ANPC1
SCHEMBL6855338 0.86 NPC1 (0.38) POLBMAP3K5SMN1; SMN2RAB9ANPC1
SCHEMBL6860552 0.82 NPC1 (0.47) POLBMAP3K5SMN1; SMN2RAB9ANPC1
SCHEMBL6862479 0.82 MAPT (0.35) RAB9ANPC1LMNAALDH1A1HPGD
SCHEMBL6860602 0.82 DHODH (0.36) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL5668737 0.80 ACSS2 (0.39) ALDH1A1HPGDKDM4EHTT
SCHEMBL6860753 0.80 NPC1 (0.39) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL4814951 0.80 TSHR (0.31)
SCHEMBL7901461 0.79 NPC1 (0.41) POLBSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL12706079 0.79 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP claimed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US claimed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO claimed
US-7419513-B2 Hindered amine light stabilizers (HALS); for thermoset/thermoplastic resins, photographic applications, pigmented/dyed polypropylene, polyamide/polyester fibers, and for white, dyed, dipped, unscented/scented candle wax against discoloration and fading CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-09-02 US disclosed
US-20050043543-A1 Benzotriazole/HALS molecular combinations and compositions stabilized therewith WOOD MERVIN G (US) 2005-02-24 US disclosed
US-6846929-B2 Benzotriazole/hals molecular combinations and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-25 US disclosed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20030074833-A1 Benzotriazole/hals molecular combinations and compositions stabilized therewith CIBA SPECIALTY CHEMCIALS CORP. 2003-04-24 US disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
WO-2002079173-A1 BENZOTRIAZOLES AND THEIR USE AS UV LIGHT STABILISERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO 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 (3 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-20030074833-A1 Benzotriazole/hals molecular combinations and compositions stabilized therewith TAS1R1, TAS1R2, BRWD1 POLB 443/4885MAP3K5 4036/4885SMN1; SMN2 1462/4885
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 POLB 1012/4885MAP3K5 3898/4885SMN1; SMN2 2918/4885
US-20050043543-A1 Benzotriazole/HALS molecular combinations and compositions stabilized therewith BRWD1, TAS1R2, TAS1R1 POLB 351/4885MAP3K5 3854/4885SMN1; SMN2 1458/4885

“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.