SCHEMBL4363802

SCHEMBL4363802

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4ncccc4c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.35
HTR1A P08908 5/20 0.35
SLC6A4 P31645 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CA2 P00918 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PKM P14618 1/20 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
SCHEMBL4335133 1.00 LMNA (0.39) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL5235467 0.90 NMT1 (0.40) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL5235470 0.90 NMT1 (0.40) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL4363798 0.87 HTR1A (0.36) LMNASMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL6631935 0.86 LMNA (0.37) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6628114 0.86 LMNA (0.37) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL4906723 0.86 LMNA (0.38) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL5765990 0.86 LMNA (0.38) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6625266 0.85 LMNA (0.36) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6625268 0.85 LMNA (0.36) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP disclosed
US-7153849-B2 Antidepressant arylpiperazine derivatives of hetrocycle-fused benzodioxans WYETH (US) 2006-12-26 US disclosed
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-07 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
US-6939877-B2 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH (US) 2005-09-06 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
EP-1392697-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE Wyeth (US) 2004-03-03 EP disclosed
US-6599915-B2 5HT1A antagonist limit the negative feedback of autoceptors seen with serotonic reuptake inhibitors WYETH 2003-07-29 US disclosed
US-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline WYETH 2003-03-06 US disclosed
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists WYETH 2002-12-19 US disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
WO-2002088132-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE AS 5-HT1AANTAGONISTS WYETH (US) 2002-11-07 WO disclosed
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH 2002-11-07 US disclosed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 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 (7 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-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline CYP19A1, DDT, DRD2 LMNA 2730/4885SMN1; SMN2 3488/4885ALDH1A1 408/4885
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TAAR5 LMNA 2055/4885SMN1; SMN2 2784/4885ALDH1A1 420/4885
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C LMNA 4524/4885SMN1; SMN2 2669/4885ALDH1A1 437/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C LMNA 4524/4885SMN1; SMN2 2669/4885ALDH1A1 437/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT LMNA 2549/4885SMN1; SMN2 3478/4885ALDH1A1 268/4885
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists HTR2C, HTR1A, HTR3B LMNA 4663/4885SMN1; SMN2 3585/4885ALDH1A1 309/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH LMNA 1546/4885SMN1; SMN2 2816/4885ALDH1A1 394/4885

“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.