Sugi Predict

Sugi Predict / Compounds / SCHEMBL449808

SCHEMBL449808

SCHEMBL449808

CC(C)(C)OC(=O)N(NC(=O)c1ccc(CN2Cc3c(cccc3-c3cncnc3)C2=O)cc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 2/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ DRD4 P21917 8/20 0.35
▸ HTR2A P28223 6/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ DRD2 P14416 6/20 0.34
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL449992 0.89 DRD4 (0.36) DHPSMRGPRX1DRD4HTR2AGPR119
SCHEMBL447178 0.83 DRD2 (0.32) DHPSDRD4GPR119DRD2HDAC1
SCHEMBL450315 0.83 MEN1 (0.39) DHPSDRD4HTR2ADRD2HDAC1
SCHEMBL449807 0.83 HDAC1 (0.41) DHPSMRGPRX1HDAC1HDAC2HDAC3
SCHEMBL450831 0.78 HDAC1 (0.52) HDAC1HDAC2HDAC3
SCHEMBL2687336 0.77 HDAC1 (0.41) GPR119HDAC1HDAC2
SCHEMBL650775 0.73 HDAC1 (0.44) GPR119HDAC1HDAC6HDAC2HDAC3
SCHEMBL447034 0.72 KDM4E (0.38) DRD4HTR2ACHRM4DRD2HDAC1
SCHEMBL2685210 0.72 GPR119 (0.43) GPR119HDAC1HDAC6HDAC2HDAC3
SCHEMBL449977 0.71 HDAC1 (0.35) DRD4GPR119DRD2HDAC1HDAC6

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 4 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
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 — — EP 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
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 — — 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL DHPS 777/4885MRGPRX1 3573/4885DRD4 2384/4885

“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.