SCHEMBL476636

SCHEMBL476636

COc1cccc2cc(C)n(CCCNS(C)(=O)=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.39
HTR1A P08908 5/20 0.39
HTR2A P28223 3/20 0.39
DRD2 P14416 3/20 0.39
HTR6 P50406 2/20 0.39
HTR2C P28335 2/20 0.39
ADRA2A P08913 2/20 0.39
HASPIN Q8TF76 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKCG P05129 1/20 0.38

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
SCHEMBL476538 0.83 SMN1; SMN2 (0.40) HTR7KDM4EMEN1KMT2AUSP2
SCHEMBL476681 0.83 MEN1 (0.39) KDM4EMEN1KMT2AUSP2ESR1
SCHEMBL476604 0.83 RECQL (0.41) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL476682 0.78 HASPIN (0.44) HTR2AHTR2CHASPINKDM4EMEN1
SCHEMBL476672 0.78 HASPIN (0.41) HTR2AHTR2CHASPINKDM4EMEN1
SCHEMBL476641 0.77 MEN1 (0.61) KDM4EMEN1KMT2AUSP2ESR1
SCHEMBL476637 0.76 ALDH1A1 (0.39) KDM4EMEN1KMT2AUSP2ESR1
SCHEMBL476619 0.76 ALDH1A1 (0.39) HTR7MEN1KMT2AUSP2ESR1
SCHEMBL20505062 0.75 HASPIN (0.46) HTR2AHTR6HTR2CHASPINKDM4E
SCHEMBL21335586 0.74 CCR2 (0.43) HTR2AHTR2CKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP disclosed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 HTR7 120/4885HTR1A 88/4885HTR2A 316/4885

“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.