SCHEMBL6862361

SCHEMBL6862361

CN(C)CCCNS(=O)(=O)c1ccc(C(C)(C)c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX15 P16050 1/20 0.39
SFRP1 Q8N474 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR2 O95136 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6861516 0.95 PHGDH (0.38) CA12CA2CA9ALOX15SFRP1
SCHEMBL6862363 0.91 SFRP1 (0.39) CA12CA2CA9ALOX15SFRP1
SCHEMBL6861489 0.89 PDK1 (0.38) CA12CA9ALDH1A1HTTMAPT
SCHEMBL6861520 0.86 PHGDH (0.35) CA12CA2CA9ALOX15SFRP1
SCHEMBL6861494 0.83 PDK1 (0.38) CA12CA9ALDH1A1HTTMAPT
SCHEMBL6860406 0.82 NPC1 (0.38) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL29353178 0.79 NPC1 (0.40) ALOX15ALDH1A1MAPTLMNAKDM4E
SCHEMBL76991 0.79 NPC1 (0.40) ALOX15ALDH1A1MAPTLMNAKDM4E
SCHEMBL29371482 0.77 NPC1 (0.44) ALOX15ALDH1A1MAPTNPSR1LMNA
SCHEMBL673358 0.77 NPC1 (0.44) ALOX15ALDH1A1MAPTNPSR1LMNA

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 8 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-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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US 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 (1 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 CA12 3911/4885CA2 3994/4885CA9 4149/4885

“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.