SCHEMBL449992

SCHEMBL449992

CC(C)(C)OC(=O)N(NC(=O)c1ccc(CN2Cc3c(Br)cccc3C2=O)cc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.36
HTR2A P28223 6/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRM4 P08173 1/20 0.36
DRD2 P14416 7/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC2 Q92769 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
DHPS P49366 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL449808 0.89 DHPS (0.42) DRD4HTR2AGPR119CHRM4DRD2
SCHEMBL449977 0.82 HDAC1 (0.35) DRD4GPR119DRD2HDAC1HDAC6
SCHEMBL449991 0.82 HDAC1 (0.43) HDAC1HDAC2
SCHEMBL450315 0.80 MEN1 (0.39) DRD4HTR2ADRD2HDAC1HDAC6
SCHEMBL2687336 0.79 HDAC1 (0.41) GPR119HDAC1HDAC2
SCHEMBL447315 0.77 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL447034 0.77 KDM4E (0.38) DRD4HTR2ACHRM4DRD2HDAC1
SCHEMBL452168 0.76 KDM4E (0.42) HDAC1HDAC2MEN1KMT2A
SCHEMBL650775 0.75 HDAC1 (0.44) GPR119HDAC1HDAC6HDAC2MEN1
SCHEMBL2134036 0.74 CA2 (0.46) GPR119HDAC1HDAC6HDAC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL DRD4 2384/4885HTR2A 4255/4885GPR119 2392/4885

“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.