SCHEMBL476706

SCHEMBL476706

ClCCCn1ccc2ccc(Cl)c(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PRPS1 P60891 1/20 0.32
HTR2B P41595 1/20 0.31
PNMT P11086 2/20 0.30

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
SCHEMBL476643 0.85 SIGMAR1 (0.35) MCL1HTR2AHTR2CCDK4CCND1
SCHEMBL476691 0.81 MCL1 (0.33) MCL1HTR2AHTR2CCDK4CCND1
SCHEMBL476708 0.75 HTT (0.46) MCL1HTR2AHTR2CHDAC6HDAC1
SCHEMBL5673232 0.69 HTR2A (0.35) MCL1HTR2AHTR2C
SCHEMBL5446561 0.69 BACE1 (0.45) HTR2AHTR2CCDK4CCND1HTR2B
SCHEMBL5334673 0.68 CNR2 (0.43) CDK4CCND1HDAC6HDAC1HDAC8
SCHEMBL725795 0.66 CDK4 (0.78) HTR2AHTR2CCDK4CCND1
SCHEMBL5334605 0.65 MEN1 (0.42) MCL1HTR2AHTR2CCDK4CCND1
SCHEMBL12857017 0.64 CDK4 (0.44) MCL1CDK4CCND1HDAC6HDAC1
SCHEMBL2748776 0.64 FGFR1 (0.40) CSNK2A2CSNK2BCSNK2A1CSNK2A3

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 3 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

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 MCL1 1846/4885HTR2A 316/4885HTR2C 229/4885

“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.