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Sugi Predict / Compounds / SCHEMBL2453240

SCHEMBL2453240

SCHEMBL2453240

CCN(C(=O)OC(C)(C)C)n1c(C)c(C(=O)O)c2cnccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 3/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ DHODH Q02127 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL2370205 0.92 TDP1 (0.34) KDM5ANAMPTTDP2TDP1KDM4E
SCHEMBL6857665 0.90 NAMPT (0.34) KDM5ANAMPTKDM4EHSD17B10LMNA
SCHEMBL2381471 0.84 NAMPT (0.33) KDM5ANAMPTKDM5B
SCHEMBL6857387 0.82 KDM4E (0.34) KDM5ANAMPTTDP1KDM4EHSD17B10
SCHEMBL2369631 0.82 KDM5A (0.40) KDM5AKDM4EHSD17B10LMNAALDH1A1
SCHEMBL2370137 0.80 KDM4E (0.39) KDM4ELMNAALDH1A1MEN1HTT
SCHEMBL22195274 0.76 MEN1 (0.35) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL2453835 0.73 KDM4E (0.38) KDM4EBRD4KAT2BSMN1; SMN2MAPT
SCHEMBL2453241 0.72 LATS1 (0.33) KDM5AHSD17B10BRD4KAT2BDHODH
SCHEMBL2383435 0.71 CYP2C9 (0.42) CYP2C9ROCK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — 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 (2 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-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, KCND3 KDM5A 707/4885NAMPT 1596/4885TDP2 2076/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 KDM5A 707/4885NAMPT 1596/4885TDP2 2076/4885

“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.