SCHEMBL450241

SCHEMBL450241

O=C(O)CCCCCN1Cc2c(Br)cccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
HDAC6 Q9UBN7 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2730891 0.89 KDM4E (0.61) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL449230 0.85 HDAC6 (0.42) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL446713 0.81 HDAC3 (0.46) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL31440135 0.80 HTR1A (0.46) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL447009 0.79 HDAC1 (0.73) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL13593314 0.79 KDM4E (0.78) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL3383921 0.79 KDM4E (0.78) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL2728733 0.74 KDM4E (0.40) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL24148125 0.74 DHPS (0.38) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL4403328 0.73 HEXA (0.44) KDM4EALDH1A1MEN1KMT2AHTR7

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 6 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-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP 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-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO 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 KDM4E 2116/4885ALDH1A1 2138/4885HPGD 313/4885

“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.