SCHEMBL868635

SCHEMBL868635

NC(=O)[C@@H](N)C(CC(=O)O)N1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMO O15229 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TNF P01375 1/20 0.33
PTPRC P08575 1/20 0.33
S100A4 P26447 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
SCHEMBL2170758 0.86 CYP1A2 (0.39) CYP1A2TSHRKMT2AMEN1MAPT
SCHEMBL869069 0.83 CYP1A2 (0.42) CYP1A2TSHRKMT2AMEN1MAPT
SCHEMBL29771892 0.82 ALDH1A1 (0.41) KMT2AMEN1MAPTRECQLMCL1
SCHEMBL7850416 0.82 ALDH1A1 (0.41) KMT2AMEN1MAPTRECQLMCL1
SCHEMBL7857231 0.82 ALDH1A1 (0.41) KMT2AMEN1MAPTRECQLMCL1
SCHEMBL2168054 0.82 ALDH1A1 (0.41) KMT2AMEN1MAPTRECQLMCL1
SCHEMBL2168338 0.81 CYP1A2 (0.43) CYP1A2TSHRKMT2AMEN1MAPT
SCHEMBL2168107 0.79 MAPT (0.41) CYP1A2TSHRKMT2AMEN1MAPT
SCHEMBL7849174 0.78 KMT2A (0.36) KMT2AMEN1MAPTRECQLMCL1
SCHEMBL2169199 0.77 KDM4E (0.42) KMT2AMEN1MAPTRECQLMCL1

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 8 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-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-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
EP-2438053-A1 METHODS FOR SYNTHESIZING 3-(SUBSTITUTED DIHYDROISOINDOLINONE-2-YL)-2,6-DIOXOPIPERIDINE, AND INTERMEDIATES THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-04-11 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
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

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 CYP1A2 8/4885TSHR 3361/4885KMT2A 1947/4885
US-20120077982-A1 Methods for Synthesizing 3-(Substituted Dihydroisoindolinone-2-YL)-2, 6-Dioxopiperidine, and Intermediates Thereof DHPS, QDPR, FDPS CYP1A2 16/4885TSHR 3415/4885KMT2A 1995/4885
US-20150284359-A1 Methods for synthesizing 3-(substituted dihydroisoindolinone-2-yl)-2, 6-dioxopiperidine, and intermediates thereof DHPS, QDPR, FDPS CYP1A2 16/4885TSHR 3415/4885KMT2A 1995/4885

“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.