SCHEMBL1477030

SCHEMBL1477030

C#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 7/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
HSP90AA1 P07900 3/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
S1PR2 O95136 1/20 0.51
OPRK1 P41145 1/20 0.51
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 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
Methyl Alcohol SCHEMBL28555835 0.94 TSHR (0.55) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11237941 0.90 TSHR (0.50) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11443206 0.89 TSHR (0.53) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11223757 0.87 TSHR (0.47) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11226239 0.86 LMNA (0.46) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11451626 0.85 LTA4H (0.49) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL28728423 0.83 TSHR (0.67) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL96231 0.82 TSHR (0.64) TSHRLMNAALDH1A1ACHETDP1
Nitrobenzene SCHEMBL28863803 0.80 ALDH1A1 (0.57) TSHRLMNAALDH1A1TDP1ALOX15
SCHEMBL3743169 0.80 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119680640-A Alkyne selective hydrogenation catalyst with high activity and high selectivity and preparation method thereof 甬江实验室 2025-03-25 CN claimed
CN-115872993-B Method for continuously synthesizing piperidone by photoinduction 南京工业大学 2024-12-10 CN claimed
CN-117964495-A Method for synthesizing 3-aminophenylacetylene 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-113117724-B Recoverable supported Au52Cu72 (SR) 55 cluster catalyst and application thereof 安徽大学 2023-09-08 CN claimed
CN-115872993-A Method for continuously synthesizing piperidone through photoinduction 南京工业大学 2023-03-31 CN claimed
CN-115650816-A Method for synthesizing 1, 3-diacetylene compound through heterogeneous catalysis 成都理工大学 2023-01-31 CN claimed
CN-115445626-A Catalyst for preparing aminophenylacetylene by hydrogenation of nitrobenzene-acetylene 长春工业大学 2022-12-09 CN claimed
CN-113248455-A 3, 5-disubstituted isoxazole derivatives and synthesis method thereof 湖北科技学院 2021-08-13 CN claimed
CN-113117724-A Recoverable supported Au52Cu72(SR)55 cluster catalyst and application thereof 安徽大学 2021-07-16 CN claimed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP claimed
CN-1130337-C Process for synthesizing meta-aminophenylacetylene UNIV HUADONG SCIENCE & ENG (CN) 2003-12-10 CN claimed
CN-1313274-A Process for synthesizing meta-aminophenylacetylene HUADONG SCIENCE & ENGINEERING (CN) 2001-09-19 CN claimed
US-4219679-A HIGH CONVERSION GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-08-26 US claimed
US-4215226-A TO THE AMINO SUBSTITUTED COMPOUNDS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-07-29 US claimed
CN-122011069-A Antitumor 1,2, 3-triazole-alpha-L-threose nucleoside phosphonate analogue and preparation method and application thereof 河南警察学院 2026-05-12 CN disclosed
US-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer TOLREMO THERAPEUTICS AG (CH) 2026-04-07 US disclosed
CN-223959657-U Synthesis device of m-nitrophenylacetylene 内蒙古习尚喜新材料科技有限公司 2026-03-03 CN disclosed
US-4128588-A PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1978-12-05 US disclosed
US-4125563-A Process for making nitroarylacetylenes and nitroarylaldehydes HUGHES AIRCRAFT COMPANY (US) 1978-11-14 US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 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 (1 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-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer SLC10A1, MAPT, SLC6A6 TSHR 3591/4885LMNA 1609/4885ALDH1A1 1234/4885

“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.