Sugi Predict

Sugi Predict / Compounds / SCHEMBL2370205

SCHEMBL2370205

SCHEMBL2370205

CCCN(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
▸ TDP1 Q9NUW8 2/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ KDM5A P29375 2/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ KDM4E B2RXH2 6/20 0.32
▸ HTT P42858 6/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 6/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ USP2 O75604 3/20 0.32
▸ TSHR P16473 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NOD1 Q9Y239 3/20 0.31
▸ XBP1 P17861 3/20 0.31
▸ TNF P01375 2/20 0.31
▸ NOD2 Q9HC29 2/20 0.31
▸ PKM P14618 2/20 0.31
▸ ALDH1A1 P00352 5/20 0.31
▸ HSD17B10 Q99714 2/20 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
SCHEMBL2453240 0.92 KDM5A (0.34) TDP1TDP2KDM5ANAMPTKDM4E
SCHEMBL2369631 0.90 KDM5A (0.40) KDM5AKDM4EHTTLMNASMN1; SMN2
SCHEMBL6857387 0.90 KDM4E (0.34) TDP1KDM5ANAMPTKDM4EHTT
SCHEMBL6857665 0.82 NAMPT (0.34) KDM5ANAMPTKDM4EHTTMEN1
SCHEMBL2381471 0.76 NAMPT (0.33) KDM5ANAMPTKDM5BLATS1
SCHEMBL2370137 0.73 KDM4E (0.39) KDM4EHTTMEN1KMT2ALMNA
SCHEMBL2453241 0.71 LATS1 (0.33) KDM5AHSD17B10HPGDLATS1
SCHEMBL2370210 0.69 LATS1 (0.33) KDM5ALATS1
SCHEMBL14562492 0.69 KDM4C (0.44) KDM5A
SCHEMBL14562434 0.68 KDM5A (0.40) KDM5AHTTSMN1; SMN2TSHRALDH1A1

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 9 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
EP-2545053-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2013-01-16 — — EP 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
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 TDP1 2896/4885TDP2 2076/4885KDM5A 707/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 TDP1 2896/4885TDP2 2076/4885KDM5A 707/4885

“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.