SCHEMBL394667

SCHEMBL394667

Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 6/20 0.51
GPR35 Q9HC97 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 4/20 0.49
HTT P42858 3/20 0.49
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL29697071 1.00 TSHR (0.57) TSHRKMT2AMEN1POLBL3MBTL1
SCHEMBL623566 0.89 ALDH1A1 (0.54) TSHRKMT2AMEN1POLBCA1
SCHEMBL29975615 0.84 KMT2A (0.53) TSHRKMT2AMEN1POLBL3MBTL1
Dinitolmide SCHEMBL29360311 0.84 ALDH1A1 (0.68) TSHRKMT2AMEN1POLBL3MBTL1
Dinitolmide SCHEMBL43712 0.84 ALDH1A1 (0.68) TSHRKMT2AMEN1POLBL3MBTL1
SCHEMBL27860074 0.84 KMT2A (0.53) TSHRKMT2AMEN1POLBL3MBTL1
SCHEMBL6830067 0.84 TSHR (0.59) TSHRKMT2AMEN1POLBL3MBTL1
SCHEMBL30406917 0.84 ALDH1A1 (0.50) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL89086 0.84 ALDH1A1 (0.50) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL11326653 0.83 KMT2A (0.60) TSHRKMT2AMEN1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-113149845-B Preparation method of 3, 5-dinitro-2-methylbenzoic acid 台州学院 2022-07-05 CN claimed
US-20220010029-A1 HYBRIDOMA CELL STRAIN THAT SECRETS ANTI-DINITOLMIDE MONOCLONAL ANTIBODIES AND THE APPLICATION OF HYBRIDOMA CELL STRAIN JIANGNAN UNIVERSITY 2022-01-13 US claimed
CN-113149845-A Preparation method of 3, 5-dinitro-2-methylbenzoic acid 台州学院 2021-07-23 CN claimed
CN-111763658-A Hybridoma cell strain secreting anti-dinitrotolamine monoclonal antibody and application thereof 江南大学 2020-10-13 CN claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-9527801-B2 Process and device for recycling waste acid produced in process of producing zoalene Zhejiang Rongyao Biotech CO., LTD. (CN) 2016-12-27 US claimed
CN-105906523-A Synthesis method of zoalene 浙江荣耀生物科技有限公司 2016-08-31 CN claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US claimed
US-5527708-A MEASURING FLUORESCENCE FROM REACTION OF CREATININE AND 3,5-DINITROBENZOATES OR 3,5-DINITROBENZAMIDE BLASS KARL G (CA) 1996-06-18 US claimed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 EP claimed

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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS TSHR 1605/4885KMT2A 2681/4885MEN1 4428/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 TSHR 2894/4885KMT2A 1624/4885MEN1 685/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 TSHR 4082/4885KMT2A 826/4885MEN1 1466/4885

“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.