SCHEMBL1048614

SCHEMBL1048614

NCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
LMNA P02545 1/20 0.57
ALDH1A1 P00352 3/20 0.53
SIGMAR1 Q99720 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TAAR1 Q96RJ0 6/20 0.49
ACHE P22303 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
TRPV1 Q8NER1 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
SCHEMBL6545015 1.00 TSHR (0.62) TSHRLMNAALDH1A1SIGMAR1LOXL2
Hydrochloric Acid SCHEMBL1169677 0.98 TSHR (0.61) TSHRLMNAALDH1A1SIGMAR1LOXL2
Oxalic Acid SCHEMBL7219123 0.92 TSHR (0.54) TSHRLMNAALDH1A1SIGMAR1CYP2D6
Oxalic Acid SCHEMBL7219128 0.92 TSHR (0.54) TSHRLMNAALDH1A1SIGMAR1CYP2D6
SCHEMBL6998770 0.89 TSHR (0.59) TSHRLMNAALDH1A1SIGMAR1LOXL2
SCHEMBL1816182 0.85 TSHR (0.62) TSHRLMNAALDH1A1SIGMAR1CYP1A2
SCHEMBL43922 0.85 TSHR (0.67) TSHRLMNAALDH1A1LOXL2CYP1A2
SCHEMBL30504205 0.85 TSHR (0.67) TSHRLMNAALDH1A1LOXL2CYP1A2
Hydrochloric Acid SCHEMBL1017929 0.83 TSHR (0.65) TSHRLMNAALDH1A1LOXL2CYP1A2
SCHEMBL7399400 0.83 TSHR (0.65) TSHRLMNAALDH1A1SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
EP-4610262-A1 MACROCYCLIC COMPOUND AS CDK9 INHIBITOR AND USE THEREOF Artivila Biopharma (CN) 2025-09-03 EP disclosed
CN-114685473-B 5-Alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2024-10-29 CN disclosed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN disclosed
CN-112630347-B HPLC analysis method for 4-nitrophenethylamine 杭州华东医药集团浙江华义制药有限公司 2023-06-23 CN disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
CN-114685473-A 5-alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2022-07-01 CN disclosed
WO-2022135601-A1 5-ALKYL-2-PYRAZOLE-OXAZOLIDINE-4-KETONE DERIVATIVE AND USE THEREOF 杭州百新生物医药科技有限公司 2022-06-30 WO disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO 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-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 TSHR 4456/4885LMNA 3549/4885ALDH1A1 2869/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 TSHR 2936/4885LMNA 3502/4885ALDH1A1 1769/4885

“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.