SCHEMBL448249

SCHEMBL448249

COc1cc2c(c(-c3cccnc3)c1OC)CN(CCCCCC(=O)O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TBXAS1 P24557 3/20 0.42
DHPS P49366 1/20 0.41
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 1/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38

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
SCHEMBL450140 0.92 EGFR (0.41) ALDH1A1DHPSEGFRFGFR1KDR
SCHEMBL437104 0.90 KDM4E (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2PTGIR
SCHEMBL450622 0.85 HDAC1 (0.53)
SCHEMBL438425 0.83 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL450252 0.82 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL437105 0.82 FAAH (0.40) ALDH1A1KDM4EHPGDLMNA
SCHEMBL450867 0.81 KDM4E (0.42) ALDH1A1KDM4EHPGDCYP3A4SMN1; SMN2
SCHEMBL449182 0.76 HDAC1 (0.59)
SCHEMBL438418 0.75 HDAC1 (0.37) ALDH1A1KDM4EHPGDKMT2A
SCHEMBL450113 0.74 HDAC1 (0.36) ALDH1A1KDM4EHPGD

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 ALDH1A1 2138/4885KDM4E 2116/4885HPGD 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.