SCHEMBL4843310

SCHEMBL4843310

O=[N+]([O-])c1c(CS(=O)(=O)c2cccc3ccccc23)cccc1OC(CCl)CCl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
NCEH1 Q6PIU2 1/20 0.34
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TXNRD1 Q16881 1/20 0.32
PIN1 Q13526 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
ALOX5 P09917 2/20 0.32
PTGES O14684 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL3533897 0.84 CYP19A1 (0.38) CYP19A1NCEH1CYP3A4TXNRD1PIN1
SCHEMBL3529003 0.84 CYP19A1 (0.38) CYP19A1NCEH1TSHRCYP3A4ALDH1A1
SCHEMBL4837581 0.82 CA2 (0.38) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL27716513 0.81 CYP19A1 (0.39) CYP19A1NCEH1TSHRALDH1A1TXNRD1
SCHEMBL4635823 0.74 ALDH1A1 (0.54) TSHRALDH1A1CA1CA2CA9
SCHEMBL3530271 0.73 CYP19A1 (0.38) CYP19A1NCEH1CYP3A4PTGESHTR6
SCHEMBL3535704 0.72 CYP19A1 (0.36) CYP19A1CYP3A4ALDH1A1TXNRD1HTR6
SCHEMBL14015215 0.71 CYP19A1 (0.34) CYP19A1NCEH1CYP3A4ALDH1A1PTGES
SCHEMBL4636117 0.70 NPC1 (0.35) TSHRALDH1A1TXNRD1
SCHEMBL3534805 0.69 NPC1 (0.43) ALDH1A1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-7429582-B2 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands and use thereof in the treatment of attention deficit disorders WYETH (US) 2008-09-30 US disclosed
US-7429582-B2 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands and use thereof in the treatment of attention deficit disorders WYETH (US) 2008-09-30 US disclosed
US-7429582-B2 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands and use thereof in the treatment of attention deficit disorders WYETH (US) 2008-09-30 US disclosed
WO-2007120599-A2 DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 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 (2 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-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C CYP19A1 1086/4885NCEH1 805/4885TSHR 465/4885
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C CYP19A1 1086/4885NCEH1 805/4885TSHR 465/4885

“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.