SCHEMBL476672

SCHEMBL476672

COc1cccc2cc(C)n(CCCI)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.41
CCR2 P41597 1/20 0.41
CNR2 P34972 3/20 0.39
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
KDM4E B2RXH2 6/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DYRK2 Q92630 1/20 0.36
TLR8 Q9NR97 1/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.35
CASR P41180 2/20 0.34
KCNA3 P22001 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL476682 0.86 HASPIN (0.44) HASPINCCR2CNR2CYP19A1NQO2
SCHEMBL20505062 0.82 HASPIN (0.46) HASPINCCR2CNR2CYP19A1NQO2
SCHEMBL21335586 0.82 CCR2 (0.43) CCR2CNR2CYP19A1NQO2KDM4E
SCHEMBL3296244 0.79 SMN1; SMN2 (0.37) CCR2CNR2KDM4ETLR8GAA
SCHEMBL476636 0.78 HTR7 (0.39) HASPINCCR2KDM4EHTR2AHTR2C
SCHEMBL18000352 0.78 NQO2 (0.50) HASPINCYP19A1NQO2KDM4EHTR2A
SCHEMBL24136199 0.73 HTR2A (0.43) CCR2CYP19A1NQO2KDM4EHTR2A
SCHEMBL30211234 0.71 NQO2 (0.43) CCR2CNR2CYP19A1NQO2KDM4E
SCHEMBL20505391 0.69 CYP1A2 (0.37) HASPINCCR2KDM4EKMT2AMAPT
SCHEMBL434941 0.67 CYP19A1 (0.56) CYP19A1NQO2KDM4EHTR2AHTR2C

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 HASPIN 2142/4885CCR2 1642/4885CNR2 31/4885

“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.