SCHEMBL425560

SCHEMBL425560

[CH](OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.44
LMNA P02545 2/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
LCK P06239 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL11629704 0.86 TSHR (0.41) TSHRIDO1AGXTLMNAMAOB
SCHEMBL8701365 0.86 IDO1 (0.45) IDO1AGXTLMNAMAOBMAOA
SCHEMBL6672654 0.85 TSHR (0.56) TSHRIDO1AGXTLMNAMAOB
SCHEMBL9550750 0.84 MAOB (0.51) LMNAMAOBMAOALCKSMN1; SMN2
SCHEMBL18797756 0.82 LMNA (0.41) TSHRIDO1LMNAMAOBLCK
SCHEMBL7565432 0.82 LTA4H (0.53) TSHRIDO1AGXTSMN1; SMN2ALDH1A1
SCHEMBL9798232 0.82 ALDH1A1 (0.39) TSHRIDO1LMNAMAOBMAOA
SCHEMBL8333879 0.81 TSHR (0.52) TSHRIDO1AGXTLMNAMAOB
SCHEMBL5244736 0.81 NFE2L2 (0.52) IDO1AGXTMAOBMAOALCK
SCHEMBL2068701 0.78 TSHR (0.52) TSHRIDO1AGXTLMNAMAOB

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 1137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177249-A1 NOVEL BINARY HISTONE DEACETYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 숙명여자대학교산학협력단 2023-09-21 WO claimed
WO-2023177250-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 숙명여자대학교산학협력단 2023-09-21 WO claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
WO-2020246503-A1 CYCLIC AMIDE COMPOUNDS FOR RABIES TREATMENT AND METHOD THEREOF 株式会社大分大学先端医学研究所 2020-12-10 WO claimed
CN-111448280-A Photosensitizer and active energy ray-curable composition 积水化学工业株式会社 2020-07-24 CN claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
WO-2019155989-A1 PHOTOSENSITIZER AND ACTIVE ENERGY RAY-CURABLE COMPOSITION 積水化学工業株式会社 2019-08-15 WO claimed
CN-107924124-A Negative photoresist composition for I-line with excellent etching resistance 荣昌化学制品株式会社 2018-04-17 CN claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
US-4599361-A ANTIARTHRITIC G. D. SEARLE & CO. (US) 1986-07-08 US claimed
EP-0185380-A2 Thiol based collagenase inhibitors G.D. Searle & Co. (US) 1986-06-25 EP claimed
US-4595700-A Thiol based collagenase inhibitors G. D. SEARLE & CO. (US) 1986-06-17 US claimed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP claimed
US-4436726-A TREATMENT OF IMMUNE DEFICIENCY DISEASES AND THROMBOSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-13 US claimed
EP-0054435-B1 N-ACYL PEPTIDE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-25 EP claimed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP claimed
EP-0054435-A1 N-acyl peptide compounds, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-06-23 EP claimed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP claimed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US claimed

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-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 TSHR 839/4885IDO1 4185/4885AGXT 3221/4885

“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.