SCHEMBL450252

SCHEMBL450252

COc1cc2c(c(-c3cc(F)cc(F)c3)c1OC)CN(CCCCCC(=O)O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CNR2 P34972 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
SCHEMBL450113 0.91 HDAC1 (0.36) KDM4EALDH1A1HPGDHDAC1CNR2
SCHEMBL438425 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL437104 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL448249 0.82 ALDH1A1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL447577 0.82 HDAC1 (0.56) HDAC1
SCHEMBL450140 0.74 EGFR (0.41) ALDH1A1SMN1; SMN2
SCHEMBL438402 0.72 HDAC1 (0.42) KDM4EALDH1A1HPGDHDAC1CNR2
SCHEMBL740176 0.72 AKR1C3 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL450622 0.68 HDAC1 (0.53) HDAC1
SCHEMBL31564727 0.66 STING1 (0.44) KDM4EALDH1A1HPGDPOLBMAPT

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 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.