SCHEMBL1694146

SCHEMBL1694146

O=C(O)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.82
CES1 P23141 2/20 0.82
TP53 P04637 1/20 0.73
TSHR P16473 3/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
LMNA P02545 1/20 0.57
MITF O75030 1/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMO O15229 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
PHGDH O43175 1/20 0.54

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
SCHEMBL15180827 1.00 CES2 (0.82) CES2CES1TP53TSHRALDH1A1
SCHEMBL2156825 0.90 CES1 (1.00) CES2CES1TP53TSHRALDH1A1
SCHEMBL31374765 0.90 CES1 (1.00) CES2CES1TP53TSHRALDH1A1
SCHEMBL31454134 0.89 CES2 (0.89) CES2CES1TP53TSHRALDH1A1
SCHEMBL11295400 0.89 CES2 (0.89) CES2CES1TP53TSHRALDH1A1
Benzil SCHEMBL27905655 0.85 CES2 (0.81) CES2CES1TP53TSHRALDH1A1
SCHEMBL27709081 0.85 TP53 (1.00) CES2CES1TP53TSHRALDH1A1
SCHEMBL132618 0.85 TP53 (1.00) CES2CES1TP53TSHRALDH1A1
SCHEMBL29490968 0.85 TP53 (1.00) CES2CES1TP53TSHRALDH1A1
SCHEMBL6831438 0.84 CES1 (0.86) CES2CES1TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323066-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2024-02-21 EP disclosed
CN-117580835-A MEK inhibitors and uses thereof 医肯纳肿瘤学公司 2024-02-20 CN disclosed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
WO-2022221866-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-10-20 WO disclosed
CN-106905316-B Protein kinase inhibitors 上海复尚慧创医药研究有限公司 2021-06-01 CN disclosed
EP-2986611-B1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2019-02-06 EP disclosed
US-10022374-B2 Certain protein kinase inhibitors SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-07-17 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
EP-2585453-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION President and Fellows of Harvard College (US) 2013-05-01 EP disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO disclosed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed
US-3969401-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC WILLIAM H. RORER, INC. (US) 1976-07-13 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 (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-10022374-B2 Certain protein kinase inhibitors PRKACA, PRKACB, PRKDC CES2 2996/4885CES1 3062/4885TP53 624/4885
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 CES2 3167/4885CES1 2856/4885TP53 352/4885

“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.