SCHEMBL3949043

SCHEMBL3949043

C=C(C)CNCCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAF1 P04049 3/20 0.33
KCNH2 Q12809 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ADRB2 P07550 4/20 0.32
ADRB1 P08588 3/20 0.32
MCHR1 Q99705 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL3949046 0.87 MTNR1A (0.38) RAB9ARAF1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL27466288 0.83 NPC1 (0.39) RAB9ANPC1LMNAKCNH2SMN1; SMN2
SCHEMBL2638762 0.82 NPC1 (0.37) TMEM97RAB9ANPC1LMNAKCNH2
SCHEMBL5834556 0.81 KAT8 (0.41) RAB9ANPC1LMNAKDM4ES1PR1
SCHEMBL3949720 0.81 GAA (0.41) RAF1MTNR1AMTNR1B
SCHEMBL3951410 0.80 FFAR4 (0.33) RAB9ANPC1LMNARAF1KCNH2
SCHEMBL3949048 0.80 SMN1; SMN2 (0.39) RAF1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL2638145 0.80 KDM4E (0.40) TMEM97RAB9ANPC1LMNAKCNH2
SCHEMBL5693426 0.77 FFAR4 (0.33) RAB9ANPC1LMNARAF1MEN1
SCHEMBL13700387 0.77 NPC1 (0.40) RAB9ANPC1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391949-B1 None US claimed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US claimed
US-6677392-B2 USED TO STABILIE NATURAL, SEMI-SYNTHETIC OR SYNTHETIC POLYMER. CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-13 US claimed
US-6638997-B2 Used for stabilizing polyolefin and automotive coating formulation against the deleterious effects of oxidative, thermal and actinic radiation CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-28 US claimed
US-6605727-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-12 US claimed
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-07-10 US claimed
US-6586507-B2 For stabilizing polyolefins, especially thermoplastic polyolefins, against the deleterious effects of oxidative, thermal and actinic radiation, also for stabilizing acid catalyzed and ambient cured coatings systems CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-01 US claimed
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-06-26 US claimed
US-20030120077-A1 Hydroxy substituted N-alkoxy hindered amines and compositions stabilized therewith GALBO JAMES PETER (US) 2003-06-26 US claimed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US claimed
US-6403681-B2 STABILIZER FOR PLASTICS CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-11 US claimed
US-20020065341-A1 Benzotriazole UV absorbers having enhanced durability RAVICHANDRAN RAMANATHAN (US) 2002-05-30 US claimed
US-6391949-B2 FOR AUTOMOBILE FINISHES; HEAT, OXIDATION, RADIATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2002-05-21 US claimed
US-6376584-B1 OXIDATION RESISTANCE, HEAT RESISTANCE, PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-23 US claimed
US-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORP. 2002-03-21 US claimed
US-6353113-B1 DIAZOTIZING THE PERFLUOROALKYL SUBSTITUTED O-NITROANILINE WITH SULFURIC ACID AND SODIUM NITRITE OR NITROSYLSULFURIC ACID TO FORM THE CORRESPONDING MONOAZOBENZENE INTERMEDIATE VIA THE DIAZONIUM SALT INTERMEDIATE WHICH IS THEN REDUCED CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-05 US claimed
US-20010031872-A1 Hydroxy-substituted N-Alkoxy hindered amines and compositions stabilized therewith GALBO JAMES P (US) 2001-10-18 US claimed
US-6296674-B1 Candle wax stabilized with red-shift benzotriazoles CIBA SPECIALTY CHEMICALS CORPORATION 2001-10-02 US claimed
US-20010018520-A1 Hydroxy-substituted N-alkoxy hindered amines and compositions stabilized therewith GALBO JAMES P (US) 2001-08-30 US claimed
US-6262151-B1 FOR AUTOMOTIVE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH TMEM97 3078/4885RAB9A 4678/4885NPC1 1521/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH TMEM97 3078/4885RAB9A 4678/4885NPC1 1521/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH TMEM97 3078/4885RAB9A 4678/4885NPC1 1521/4885
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 TMEM97 3528/4885RAB9A 4479/4885NPC1 4353/4885
US-20030120077-A1 Hydroxy substituted N-alkoxy hindered amines and compositions stabilized therewith OGG1, POLH, OGFOD1 TMEM97 852/4885RAB9A 1784/4885NPC1 1839/4885
US-20010018520-A1 Hydroxy-substituted N-alkoxy hindered amines and compositions stabilized therewith POLH, OGG1, OGFOD1 TMEM97 974/4885RAB9A 2188/4885NPC1 1790/4885
US-20010031872-A1 Hydroxy-substituted N-Alkoxy hindered amines and compositions stabilized therewith POLH, OGG1, OGFOD1 TMEM97 974/4885RAB9A 2188/4885NPC1 1790/4885
US-20020065341-A1 Benzotriazole UV absorbers having enhanced durability TERT, AHR, ARNT TMEM97 2401/4885RAB9A 4813/4885NPC1 2921/4885

“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.