SCHEMBL419987

SCHEMBL419987

CC(C)(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GPR35 Q9HC97 1/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GALR3 O60755 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL30486812 1.00 NPSR1 (0.59) NPSR1HSD17B10TDP1KMT2AMEN1
Nitrous Acid SCHEMBL29013334 0.91 NPSR1 (0.55) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL9336413 0.87 NPSR1 (0.59) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL23929022 0.85 NPSR1 (0.57) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL28552981 0.85 NPSR1 (0.57) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL2581018 0.83 NPSR1 (0.56) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL2956140 0.83 NPSR1 (0.60) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL4008025 0.83 NPSR1 (0.56) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL8331183 0.83 NPSR1 (0.60) NPSR1HSD17B10TDP1KMT2AMEN1
SCHEMBL8733188 0.83 NPSR1 (0.56) NPSR1HSD17B10TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11787903-B2 Highly strong and tough photo-crosslinked hydrogel material and its preparation and application ZHONGSHAN GUANGHE MEDICAL TECHNOLOGY CO., LTD (CN) 2023-10-17 US disclosed
US-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-20230130864-A1 HIGHLY STRONG AND TOUGH PHOTO-CROSSLINKED HYDROGEL MATERIAL AND ITS PREPARATION AND APPLICATION Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2023-04-27 US disclosed
CN-115838348-A Synthetic method and application of benzopyrrole quaternary ammonium hydroxide 万华化学集团股份有限公司 2023-03-24 CN disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20210347742-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-11 US disclosed
US-5104944-A Redox system INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1992-04-14 US disclosed
US-5045159-A Derivatives of compounds containing a carbonyl group conjugated to an aromatic moiety and electrophilic methods of fabrication thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1991-09-03 US disclosed
US-5021129-A Multilayer structures of different electroactive materials and methods of fabrication thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1991-06-04 US disclosed
EP-0419804-A2 Multilayer structures of different electroactive materials and methods of fabrication thereof International Business Machines Corporation (US) 1991-04-03 EP disclosed
EP-0409002-A2 Process for nucleophilic derivatization of materials having an imide group conjugated to an aromatic moiety International Business Machines Corporation (US) 1991-01-23 EP disclosed
EP-0409003-A2 Derivatives of compounds containing a carbonyl group conjugated to an aromatic moiety and electrophilic methods of fabrication thereof International Business Machines Corporation (US) 1991-01-23 EP disclosed
EP-0374487-A2 Method for conditioning an organic polymeric material International Business Machines Corporation (US) 1990-06-27 EP disclosed
US-4496782-A STOICHIOMETRY; DINITROTOLUENES AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-01-29 US disclosed
US-4132611-A Addition of organic electrophiles to carbon acids via catalysis by electrogenerated bases MONSANTO COMPANY (US) 1979-01-02 US disclosed
US-4072583-A Electrolytic carboxylation of carbon acids via electrogenerated bases MONSANTO COMPANY (US) 1978-02-07 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-20220009875-A1 NITRATION NOS1, NOS2, NOS3 NPSR1 261/4885HSD17B10 2552/4885TDP1 1637/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK NPSR1 3655/4885HSD17B10 423/4885TDP1 945/4885
US-20210347742-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 NPSR1 858/4885HSD17B10 2372/4885TDP1 2925/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NPSR1 3657/4885HSD17B10 3100/4885TDP1 1450/4885
US-11655203-B2 Nitration NOS1, NOS2, NOS3 NPSR1 261/4885HSD17B10 2552/4885TDP1 1637/4885

“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.