SCHEMBL503451

SCHEMBL503451

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
CASP6 P55212 1/20 0.60
TPMT P51580 1/20 0.57
LMNA P02545 2/20 0.55
HCAR3 P49019 6/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3582465 0.90 TSHR (0.64) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL2903129 0.89 TPMT (0.64) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL450228 0.87 TSHR (0.56) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL30858307 0.87 TSHR (0.56) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL2720816 0.87 TSHR (0.56) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL23699540 0.87 TSHR (0.56) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL2671570 0.87 TSHR (0.56) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL2902973 0.87 LMNA (0.60) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL2894998 0.87 TSHR (0.56) TSHRCASP6TPMTLMNAHCAR3
SCHEMBL2896874 0.84 TPMT (0.59) TSHRCASP6TPMTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559009-A2 PARTICLES Life Technologies AS (NO) 2025-05-28 EP claimed
CN-119698673-A Particles 生命技术股份公司 2025-03-25 CN claimed
CN-118725252-A Sulfonyl iminopolyurethane single-ion polymer electrolyte membrane, and preparation method and application thereof 哈尔滨工业大学 2024-10-01 CN claimed
CN-117659278-A Fluorel molecularly imprinted polymer and preparation method thereof 河南农业大学 2024-03-08 CN claimed
WO-2024018084-A2 PARTICLES LIFE TECHNOLOGIES AS (NO) 2024-01-25 WO claimed
CN-116731442-A Degradable plastic bottle and production process thereof 广州耀威塑胶有限公司 2023-09-12 CN claimed
CN-115109276-B Production process of environment-friendly degradable plastic particles 广东银豪塑胶制品有限公司 2023-06-09 CN claimed
CN-115109276-A Production process of environment-friendly degradable plastic particles 广东银豪塑胶制品有限公司 2022-09-27 CN claimed
CN-109912423-B Green synthesis process of 3, 5-dinitro-4-methylbenzoic acid 常州工程职业技术学院 2022-02-11 CN claimed
CN-109912423-A A kind of green synthesis process of 3,5- dinitro -4- methyl benzoic acid 常州工程职业技术学院 2019-06-21 CN 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-6815567-B2 MANUFACTURING OF MOLECULAR ELECTRONIC DEVICE, NITRATION, ESTERIFICATION, HYDROLYSIS, SULFIDING ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2004-11-09 US claimed
US-20040147786-A1 Derivatives of 4-sulfanylalkyl-3,5-dinitrobenzyl alcohol and method for preparing the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2004-07-29 US claimed
US-6156479-A Thermosetting anti-refective coatings BREWER SCIENCE, INC. (US) 2000-12-05 US claimed
WO-2000057247-A1 IMPROVED THERMOSETTING ANTI-REFLECTIVE COATINGS BREWER SCIENCE, INC. (US) 2000-09-28 WO 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-20040147786-A1 Derivatives of 4-sulfanylalkyl-3,5-dinitrobenzyl alcohol and method for preparing the same ADH1A, ADH1C, ADH5 TSHR 3511/4885CASP6 4194/4885TPMT 3179/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 TSHR 2894/4885CASP6 2660/4885TPMT 3386/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 TSHR 4082/4885CASP6 2761/4885TPMT 1721/4885

“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.