Sugi Predict

Sugi Predict / Compounds / SCHEMBL2415016

SCHEMBL2415016

SCHEMBL2415016

Nc1cc(C(F)(F)F)cc([N+](=O)[O-])c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ CYP3A4 P08684 4/20 0.59
▸ TSHR P16473 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ TXNRD1 Q16881 1/20 0.59
▸ TXNRD3 Q86VQ6 1/20 0.59
▸ TXNRD2 Q9NNW7 1/20 0.59
▸ PTPN5 P54829 1/20 0.54
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPK1 P28482 4/20 0.47
▸ PLK1 P53350 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL9015339 0.90 ALDH1A1 (0.82) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11850743 0.86 ALDH1A1 (0.75) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9173191 0.84 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL10285828 0.84 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1193184 0.84 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL12329596 0.84 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL18825074 0.82 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL205303 0.82 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9628369 0.82 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9649686 0.82 CYP3A4 (0.77) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612119-B Phosphatidylether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院（DBA西雅图儿童研究所） 2024-10-29 — — CN disclosed
US-20240226160-A9 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-07-11 — — US disclosed
US-20240131072-A1 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-04-25 — — US disclosed
CN-117177989-A Activity-inducible fusion proteins with heat shock protein 90 binding domain 西雅图儿童医院以西雅图儿童研究机构名义经营 2023-12-05 — — CN disclosed
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS SEATTLE CHILDREN’S HOSPITAL DBA SEATTLE CHILDREN’S RES INSTITUTE (US) 2023-10-12 — — US disclosed
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 — — US disclosed
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents SEATTLE CHILDREN'S HOSPITAL (US) 2023-05-16 — — US disclosed
US-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 — — US disclosed
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 — — US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 — — US disclosed
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 — — US disclosed
US-4108631-A HERBICIDES, INSECTICIDES ELI LILLY AND COMPANY (US) 1978-08-22 — — US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 — — US disclosed
US-RE29508-E HERBICIDES AND INSECTICIDES ELI LILLY AND COMPANY (US) 1978-01-03 — — US disclosed
US-4011341-A HERBICIDES ELI LILLY AND COMPANY (US) 1977-03-08 — — US disclosed
US-3989840-A Control of animal parasites with ring-substituted N-(2,2-difluoroalkanoyl)-O-phenylenediamines ELI LILLY AND COMPANY (US) 1976-11-02 — — US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 — — US disclosed
US-3954792-A 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
US-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
US-3954788-A INTERMEDIATES FOR HERBIDIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — 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 (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-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 ALDH1A1 3262/4885CYP3A4 4045/4885TSHR 1224/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 ALDH1A1 3262/4885CYP3A4 4045/4885TSHR 1224/4885

“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.