SCHEMBL5376311

SCHEMBL5376311

CC(=O)Oc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 8/20 0.43
SRC P12931 2/20 0.43
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
BCHE P06276 2/20 0.42
AGTR1 P30556 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41

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
SCHEMBL27885302 0.76 HTR6 (0.50) LMNASMN1; SMN2HTR6SRCPSEN1
SCHEMBL5377982 0.76 SRC (0.58) LMNASMN1; SMN2HTR6SRCPSEN1
SCHEMBL12093313 0.73 HTR6 (0.70) LMNAHTR6SRCPSEN1PSEN2
SCHEMBL5378582 0.72 ALDH1A1 (0.43) MTNR1BLMNASMN1; SMN2HTR6PSEN1
SCHEMBL3259520 0.72 HTR6 (0.48) LMNASMN1; SMN2HTR6BCHEMEN1
SCHEMBL1683978 0.70 KDM4E (0.53) LMNAKMT2A
SCHEMBL1771943 0.69 PSEN1 (0.53) LMNASMN1; SMN2HTR6SRCPSEN1
SCHEMBL27902317 0.68 HTR6 (0.44) HTR6SRCAGTR1HTR1ADRD2
SCHEMBL25748059 0.68 HTR6 (0.60) MTNR1BHTR6SRCFABP4
SCHEMBL4852200 0.68 HTR6 (0.49) MTNR1BLMNASMN1; SMN2HTR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US claimed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US claimed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP claimed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO claimed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
US-6777559-B2 CYCLOCARBONYLATING ACETIC ACID (OR BENZOIC ACID)-1-(1-BENZENESULFONYL-1H-INDOL-2-YL)-ALLYL ESTER TO OBTAIN 9-BENZENESULFONYL-9H-CARBAZOL-4-YL ESTER; SAPONIFYING HOFFMANN-LA ROCHE INC. 2004-08-17 US disclosed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US disclosed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 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-20040127723-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 MTNR1B 4824/4885LMNA 900/4885SMN1; SMN2 3296/4885
US-20020099223-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 MTNR1B 4824/4885LMNA 900/4885SMN1; SMN2 3296/4885

“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.