SCHEMBL3435023

SCHEMBL3435023

O=[N+]([O-])c1cc(C(F)(F)F)cc2c1nnn2O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ MAPT P10636 6/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ PKM P14618 1/20 0.43
▸ PTPN5 P54829 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL22954025 0.80 ALDH1A1 (0.44) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL3279594 0.79 MAPT (0.67) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL3279016 0.78 MAPT (0.50) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL3286185 0.78 MAPT (0.50) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL8855525 0.76 PLK1 (0.53) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL3283183 0.75 PKM (0.50) MAPTMAPK1PKM
SCHEMBL22954108 0.74 MAPT (0.60) ALDH1A1MAPTMAPK1PKMPOLB
SCHEMBL22954114 0.74 PKM (0.49) PKM
SCHEMBL11867676 0.73 ALDH1A1 (0.43) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL22954616 0.73 PLK1 (0.50) PLK1ALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807821-B1 Method for the synthesis of nucleic acid without protecting base moiety JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-10-05 — — US claimed
EP-1721908-A1 NOVEL METHOD OF SYNTHESIZING NUCLEIC ACID WITHOUT PROTECTING NUCLEOTIDE BASES Japan Science and Technology Agency (JP) 2006-11-15 — — EP claimed
EP-3862431-B1 METHOD FOR PRODUCING HAIRPIN SINGLE-STRAND RNA MOLECULES TORAY INDUSTRIES (JP) 2024-06-26 — — EP disclosed
US-20240110186-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2024-04-04 — — US disclosed
US-11891602-B2 Method of producing hairpin single-stranded RNA molecules TORAY INDUSTRIES, INC. (JP) 2024-02-06 — — US disclosed
CN-116829567-A Oligonucleotide prodrugs based on cyclic disulfide modified phosphates 阿尔尼拉姆医药品有限公司 2023-09-29 — — CN disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-20210317495-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2021-10-14 — — US disclosed
EP-3862431-A1 METHOD FOR PRODUCING HAIRPIN SINGLE-STRAND RNA MOLECULES Toray Industries, Inc. (JP) 2021-08-11 — — EP disclosed
CN-112673102-A Preparation method of hairpin type single-stranded RNA molecule 东丽株式会社 2021-04-16 — — CN disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 — — US disclosed
US-7807821-B1 Method for the synthesis of nucleic acid without protecting base moiety JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-10-05 — — US disclosed
US-7807821-B1 Method for the synthesis of nucleic acid without protecting base moiety JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-10-05 — — US disclosed
EP-1721908-A1 NOVEL METHOD OF SYNTHESIZING NUCLEIC ACID WITHOUT PROTECTING NUCLEOTIDE BASES Japan Science and Technology Agency (JP) 2006-11-15 — — EP disclosed
EP-0739898-B1 Phosphonomonoester nucleic acids, methods for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-26 — — EP disclosed
CN-1060781-C Phosphonootropic monoester nucleic acids, process for their preparation and their use HOECHST AG (DE) 2001-01-17 — — CN disclosed
US-6127346-A FOR THE TREATMENT OF VIRUSES HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-03 — — US disclosed
US-5874553-A ANTIBODIES; INHIBITOR OF GENE EXPRESSION HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 — — US disclosed
CN-1138588-A Phosphonootropic monoester nucleic acids, process for their preparation and their use HOECHST AG (DE) 1996-12-25 — — CN disclosed
EP-0739898-A2 Phosphonomonoester nucleic acids, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 — — EP 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-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 PLK1 2834/4885ALDH1A1 1490/4885TDP1 2207/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 PLK1 2834/4885ALDH1A1 1490/4885TDP1 2207/4885

“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.

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