Sugi Predict

Sugi Predict / Compounds / SCHEMBL1978638

SCHEMBL1978638

SCHEMBL1978638

CCOC(=O)C(=O)Cc1ccc(C(=O)OCC)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ PTGER4 P35408 1/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ PDK1 Q15118 1/20 0.48
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL3841850 0.88 KMT2A (0.63) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7052691 0.88 LMNA (0.64) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1304734 0.88 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6336196 0.86 LMNA (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL17368517 0.85 CYP1A2 (0.43) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7644568 0.84 CYP1A2 (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4262486 0.84 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3127542 0.84 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6704626 0.83 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5062383 0.83 MAPT (0.52) KMT2AALDH1A1MAPTLMNAMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420516-A Preparation method of halogenated indoline-2, 3-diketone compound 河北医科大学 2024-08-02 — — CN disclosed
CN-118420517-A Preparation method of indoline-2, 3-diketone compound 河北医科大学 2024-08-02 — — CN disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 — — CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 — — US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 — — EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — WO disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 — — US disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 — — US disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 — — US disclosed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 — — US 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 (5 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 KMT2A 3498/4885ALDH1A1 3766/4885MAPT 3150/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 KMT2A 377/4885ALDH1A1 4078/4885MAPT 2354/4885
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KMT2A 1226/4885ALDH1A1 3894/4885MAPT 1938/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 KMT2A 377/4885ALDH1A1 4078/4885MAPT 2354/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 KMT2A 377/4885ALDH1A1 4078/4885MAPT 2354/4885

“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.