SCHEMBL6233523

SCHEMBL6233523

COC(=O)CCC(C(=O)OC)N1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
TNF P01375 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7858449 0.92 NPC1 (0.41) NPC1RAB9ATNFALDH1A1MAPT
SCHEMBL7857400 0.91 NPC1 (0.41) NPC1RAB9ATNFALDH1A1MAPT
SCHEMBL10192707 0.91 NPC1 (0.41) NPC1RAB9ATNFALDH1A1MAPT
SCHEMBL18639881 0.91 TNF (0.41) NPC1RAB9ATNFALDH1A1MAPT
SCHEMBL7849754 0.91 TNF (0.41) NPC1RAB9ATNFALDH1A1MAPT
SCHEMBL13258582 0.87 NPC1 (0.41) NPC1RAB9ATNFALDH1A1MAPT
SCHEMBL10074218 0.84 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10083557 0.83 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL7849171 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL7849187 0.83 NPC1 (0.44) NPC1RAB9ATNFALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522899-B2 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof NANJIAN CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD (CN) 2016-12-20 US disclosed
US-9522899-B2 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof NANJIAN CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD (CN) 2016-12-20 US disclosed
US-20150284359-A1 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2015-10-08 US disclosed
US-20150284329-A1 Methods for synthesizing 3-(Substituted Dihydroisoindolinone-2-YI)-2, 6-Dioxopiperidine, and intermediates thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2015-10-08 US disclosed
US-20150284359-A1 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2015-10-08 US disclosed
US-9085530-B2 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2015-07-21 US disclosed
US-9085530-B2 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2015-07-21 US disclosed
EP-2438053-B1 METHODS FOR SYNTHESIZING 3-(SUBSTITUTED DIHYDROISOINDOLINONE-2-YL)-2,6-DIOXOPIPERIDINE, AND INTERMEDIATES THEREOF NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD (CN) 2013-09-11 EP disclosed
US-20120077982-A1 Methods for Synthesizing 3-(Substituted Dihydroisoindolinone-2-YL)-2, 6-Dioxopiperidine, and Intermediates Thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-03-29 US disclosed
US-20120077982-A1 Methods for Synthesizing 3-(Substituted Dihydroisoindolinone-2-YL)-2, 6-Dioxopiperidine, and Intermediates Thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-03-29 US disclosed
WO-2010139266-A1 METHODS FOR SYNTHESIZING 3-(SUBSTITUTED DIHYDROISOINDOLINONE-2-YL)-2,6-DIOXOPIPERIDINE, AND INTERMEDIATES THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2010-12-09 WO disclosed
WO-2005005409-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2,6-DIOXOPIPERIDINE-3-YL COMPOUNDS SIEGFRIED LTD. (CH) 2005-01-20 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 (3 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-20150284329-A1 Methods for synthesizing 3-(Substituted Dihydroisoindolinone-2-YI)-2, 6-Dioxopiperidine, and intermediates thereof DHPS, QDPR, FDPS NPC1 2049/4885RAB9A 3061/4885TNF 1790/4885
US-20120077982-A1 Methods for Synthesizing 3-(Substituted Dihydroisoindolinone-2-YL)-2, 6-Dioxopiperidine, and Intermediates Thereof DHPS, QDPR, FDPS NPC1 1917/4885RAB9A 3181/4885TNF 2065/4885
US-20150284359-A1 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof DHPS, QDPR, FDPS NPC1 1917/4885RAB9A 3181/4885TNF 2065/4885

“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.