SCHEMBL446514

SCHEMBL446514

COc1cc(C(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c(-c2ccc(C(F)(F)F)cc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.56
HDAC2 Q92769 7/20 0.51
BRD4 O60885 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
PTGS1 P23219 1/20 0.50
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL452472 0.92 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL450147 0.89 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL449673 0.87 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL450609 0.86 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL447359 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL451070 0.83 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2418799 0.79 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2413774 0.78 PTGS1 (0.78) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL447230 0.77 HDAC1 (0.54) HDAC1HDAC2BRD4HDAC3PTGS1
SCHEMBL1062997 0.74 HDAC1 (0.94) HDAC1HDAC2HDAC3

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 8 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 claimed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP claimed
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 claimed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO claimed
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 HDAC1 761/4885HDAC2 641/4885BRD4 1087/4885

“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.