SCHEMBL1847472

SCHEMBL1847472

O=C(O)c1cc([N+](=O)[O-])cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MIF P14174 1/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 4/20 0.41
ALAD P13716 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
GALR3 O60755 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRD5A2 P31213 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NPY1R P25929 1/20 0.38

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
Hydrochloric Acid SCHEMBL8634171 0.98 DAO (0.47) DAOCA1CA2TDP1MIF
SCHEMBL8634167 0.82 MIF (0.46) MIFALDH1A1CYP3A4MEN1KMT2A
SCHEMBL2789975 0.82 MAPT (0.48) MIFTP53ALDH1A1CYP3A4MEN1
SCHEMBL28263654 0.82 SMN1; SMN2 (0.50) TDP1MIFALDH1A1CYP3A4ALOX15
SCHEMBL1844829 0.82 MIF (0.43) MIFALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13497519 0.82 DAO (0.50) DAOMIFALDH1A1ALADMEN1
SCHEMBL6142322 0.79 ALAD (0.61) CA1CA2TDP1ALDH1A1ALAD
SCHEMBL18430372 0.78 MIF (0.40) MIFALDH1A1CYP3A4MEN1KMT2A
SCHEMBL11213610 0.78 KMT2A (0.49) MIFTP53ALDH1A1CYP3A4MEN1
SCHEMBL6694136 0.78 ALDH1A1 (0.56) MIFALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107400110-A The impurity B of Raltitrexed and its preparation and application 南京正大天晴制药有限公司 2017-11-28 CN claimed
EP-0186252-B1 USE OF THIOPHENE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT AGAINST TUMOURS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1992-04-01 EP claimed
CN-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 CN disclosed
CN-116023359-B Synthesis method of aminothiophene compound and aminothiophene compound 上海泰坦科技股份有限公司 2024-08-02 CN disclosed
CN-117486882-B Matrine alkaloid derivative and application thereof in preparation of multi-target multi-organ tissue cell injury inhibitor 吉林农业大学 2024-06-11 CN disclosed
CN-117486882-A Matrine alkaloid derivative and application thereof in preparation of multi-target multi-organ tissue cell injury inhibitor 吉林农业大学 2024-02-02 CN disclosed
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
CN-116023359-A Synthesis method of aminothiophene compound and aminothiophene compound 上海泰坦科技股份有限公司 2023-04-28 CN disclosed
CN-113666907-A Method for rapidly preparing 4-nitrothiophene-2-formic acid based on microchannel reaction technology 都创(上海)医药开发有限公司 2021-11-19 CN disclosed
CN-109283263-B Determination method for Raltitrexed synthesis quality control 南京正大天晴制药有限公司 2019-06-25 CN disclosed
EP-0592167-A1 Antibiotic pyrrolidinylthiopenem derivatives ZENECA LIMITED (GB) 1994-04-13 EP disclosed
EP-0586663-A1 CARBAPENEM DERIVATIVES AS ANTIBIOTICS AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1994-03-16 EP disclosed
CN-1077957-A Antimicrobial compounds ZENECA LTD (GB) 1993-11-03 CN disclosed
WO-1993019070-A1 CARBAPENEM DERIVATIVES AS ANTIBIOTICS AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1993-09-30 WO disclosed
EP-0186252-B1 USE OF THIOPHENE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT AGAINST TUMOURS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1992-04-01 EP disclosed
US-4978674-A ANTIARRHYTHMIA AGENTS KOTOBUKI SEIYAKU CO. LTD. (JP) 1990-12-18 US disclosed
US-4767758-A RADIOSENSITIZING CELLS; BLOCKING REACTION OF OXYGEN RADICALS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1988-08-30 US disclosed
EP-0186252-A2 Use of thiophene compounds for the manufacture of a medicament against tumours CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1986-07-02 EP disclosed
US-4220793-A Process for preparing a thiophene derivative LABAZ (FR) 1980-09-02 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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 DAO 940/4885CA1 3193/4885CA2 2566/4885

“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.