SCHEMBL1136650

SCHEMBL1136650

CC(=O)c1ccc(Sc2ccccc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAOB P27338 4/20 0.49
MCL1 Q07820 3/20 0.49
BCL2 P10415 1/20 0.49
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.40
MAOA P21397 2/20 0.40
HNF4A P41235 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
SIRT1 Q96EB6 2/20 0.39

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
SCHEMBL7195291 0.86 HNF4A (0.55) HPGDALDH1A1MCL1BCL2CYP3A4
SCHEMBL1039389 0.81 HPGD (0.56) HPGDALDH1A1MAOBMCL1BCL2
SCHEMBL1020499 0.78 MCL1 (0.56) HPGDALDH1A1MAOBMCL1CYP3A4
SCHEMBL15220064 0.77 ALDH1A1 (0.59) HPGDALDH1A1MCL1CYP3A4MAPK1
SCHEMBL7196389 0.75 BCL2 (0.59) HPGDALDH1A1MAOBMCL1BCL2
SCHEMBL3196569 0.75 MCL1 (0.62) HPGDALDH1A1MCL1BCL2CYP3A4
SCHEMBL522901 0.74 KDM4E (0.61) HPGDALDH1A1MAOBMCL1BCL2
SCHEMBL30003813 0.74 ALDH1A1 (0.47) HPGDALDH1A1MAOBCYP3A4MAPK1
SCHEMBL21950992 0.74 ALDH1A1 (0.47) HPGDALDH1A1MAOBMCL1CYP3A4
SCHEMBL21951042 0.74 ALDH1A1 (0.47) HPGDALDH1A1MAOBCYP3A4MAPK1

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
EP-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
EP-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-2027104-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO disclosed
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 US disclosed
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 US disclosed
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 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 (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-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors HTR6, HTR1F, HTR1A HPGD 2346/4885ALDH1A1 1927/4885MAOB 57/4885

“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.