SCHEMBL22129672

SCHEMBL22129672

O=C(Cc1cccc2ccccc12)NC(CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
PIN1 Q13526 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
PTGER4 P35408 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL22129673 1.00 HRH4 (0.57) HRH4PIN1TDP1MMEACE
SCHEMBL9852754 0.87 PIN1 (0.57) HRH4PIN1TDP1MMEACE
SCHEMBL1514490 0.86 TDP1 (0.58) PIN1TDP1MMEACECPA1
SCHEMBL4954937 0.86 TDP1 (0.58) PIN1TDP1MMEACECPA1
SCHEMBL24597921 0.86 HRH4 (0.50) HRH4PIN1MMEACECPA1
SCHEMBL22129667 0.85 PIN1 (0.55) HRH4PIN1TDP1MMEACE
SCHEMBL10722504 0.85 PIN1 (0.64) HRH4PIN1TDP1MMEACE
SCHEMBL24130549 0.85 PIN1 (0.55) PIN1TDP1MMEACECPA1
SCHEMBL24597922 0.83 HRH4 (0.50) HRH4PIN1MMEACECPA1
SCHEMBL24597915 0.81 HRH4 (0.55) HRH4PIN1MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845887-B1 SKIN SENSITIZATION MEASURING METHOD FUJIFILM CORP (JP) 2024-05-01 EP claimed
EP-4130739-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2023-02-08 EP claimed
US-20230024686-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM CORPORATION (JP) 2023-01-26 US claimed
US-20220364989-A1 METHOD FOR MEASURING PHOTOTOXICITY OR PHOTOALLERGY AND REAGENT FOR USE THEREIN FUJIFILM CORPORATION (JP) 2022-11-17 US claimed
EP-3901620-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD FUJIFILM Corporation (JP) 2021-10-27 EP claimed
EP-3845887-A1 SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2021-07-07 EP claimed
US-20210181109-A1 METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY FUJIFILM CORPORATION (JP) 2021-06-17 US claimed
WO-2020129509-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD 富士フイルム株式会社 2020-06-25 WO claimed
US-12638394-B2 Skin sensitization measuring reagent, method for measuring skin sensitization, and compound FUJIFILM CORPORATION (JP) 2026-05-26 US disclosed
EP-4036570-B1 REAGENT FOR MEASURING SKIN SENSITIZATION, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM CORP (JP) 2025-03-05 EP disclosed
EP-3845887-B1 SKIN SENSITIZATION MEASURING METHOD FUJIFILM CORP (JP) 2024-05-01 EP disclosed
EP-4234537-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM Corporation (JP) 2023-08-30 EP disclosed
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM CORPORATION (JP) 2023-08-17 US disclosed
EP-4130739-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2023-02-08 EP disclosed
EP-4036570-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM Corporation (JP) 2022-08-03 EP disclosed
US-20220214276-A1 SKIN SENSITIZATION MEASURING REAGENT, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM CORPORATION (JP) 2022-07-07 US disclosed
EP-3901620-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD FUJIFILM Corporation (JP) 2021-10-27 EP disclosed
EP-3845887-A1 SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2021-07-07 EP disclosed
US-20210181109-A1 METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY FUJIFILM CORPORATION (JP) 2021-06-17 US disclosed
WO-2020129509-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD 富士フイルム株式会社 2020-06-25 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-12638394-B2 Skin sensitization measuring reagent, method for measuring skin sensitization, and compound HRH1, HRH4, CUTA HRH4 2/4885PIN1 765/4885TDP1 4339/4885
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION TST, CUTA, HNMT HRH4 4/4885PIN1 59/4885TDP1 4739/4885

“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.