SCHEMBL476643

SCHEMBL476643

Clc1ccc2ccn(CCCI)c2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
MCL1 Q07820 4/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL476706 0.85 MCL1 (0.36) CDK4CCND1MCL1HDAC6HDAC1
SCHEMBL476691 0.80 MCL1 (0.33) CDK4CCND1MCL1HTR2AHTR2C
SCHEMBL476708 0.74 HTT (0.46) MCL1HDAC6HDAC1HDAC8HTR2A
SCHEMBL476728 0.70 SIGMAR1 (0.35) SIGMAR1HTR2AHTR2C
SCHEMBL16244758 0.65 CDK4 (0.78) SIGMAR1CDK4CCND1HTR2AHTR2C
SCHEMBL2184235 0.63 ADRA2A (0.45) CDK4CCND1
SCHEMBL4827327 0.63 DBH (0.33)
SCHEMBL14066612 0.63 ADRA2A (0.32)
SCHEMBL18911783 0.60 CDK4 (0.81) CDK4CCND1HTR2AHTR2C
SCHEMBL5841534 0.58 ACLY (0.49) CDK4CCND1MCL1HDAC6HDAC1

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 SIGMAR1 285/4885CDK4 1606/4885CCND1 1283/4885

“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.