SCHEMBL6862331

SCHEMBL6862331

CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccc(OCCO)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
PIN1 Q13526 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
ACKR3 P25106 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL7521571 0.92 SMN1; SMN2 (0.38) SMN1; SMN2CYP3A4NPC1RAB9APIN1
SCHEMBL6861261 0.91 NPC1 (0.36) SMN1; SMN2NPC1RAB9APIN1MEN1
SCHEMBL6855667 0.86 HTT (0.45) SMN1; SMN2CYP3A4NPC1RAB9AMEN1
SCHEMBL6860452 0.86 HPGD (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1499910 0.83 NPC1 (0.45) SMN1; SMN2CYP3A4NPC1RAB9APOLB
SCHEMBL7655370 0.82 NPC1 (0.36) SMN1; SMN2NPC1RAB9APIN1MEN1
SCHEMBL6860552 0.81 NPC1 (0.47) SMN1; SMN2CYP3A4NPC1RAB9AMEN1
SCHEMBL11136454 0.81 NPC1 (0.41) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL7521872 0.79 HPGD (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5510301 0.79 NPC1 (0.41) CYP3A4NPC1RAB9APOLBLMNA

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 SMN1; SMN2 2918/4885CYP3A4 60/4885NPC1 4353/4885

“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.