SCHEMBL623629

SCHEMBL623629

Nc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.53
NFE2L2 Q16236 1/20 0.52
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
FURIN P09958 2/20 0.46
BTK Q06187 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
EPHX2 P34913 3/20 0.42
MCHR1 Q99705 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL26012610 1.00 PARP10 (0.53) PARP10NFE2L2HPGDALDH1A1TSHR
SCHEMBL747626 0.98 PARP10 (0.55) PARP10NFE2L2HPGDALDH1A1TSHR
SCHEMBL10187265 0.93 PARP10 (0.60) PARP10NFE2L2HPGDALDH1A1TSHR
SCHEMBL2242868 0.91 PARP10 (0.55) PARP10HPGDALDH1A1TSHRFURIN
SCHEMBL6903727 0.88 TDP1 (0.50) PARP10NFE2L2ALDH1A1TSHRFURIN
SCHEMBL8314928 0.88 TDP1 (0.50) PARP10NFE2L2ALDH1A1TSHRFURIN
SCHEMBL8316329 0.84 FURIN (0.62) PARP10NFE2L2HPGDALDH1A1TSHR
SCHEMBL11936005 0.80 ALDH1A1 (0.54) NFE2L2ALDH1A1TSHRTDP1HRH3
SCHEMBL9306433 0.80 SLC6A4 (0.56) PARP10HPGDALDH1A1TSHRFURIN
SCHEMBL623713 0.80 PARP10 (0.47) PARP10HPGDALDH1A1TSHRFURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
CN-118011690-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2024-05-10 CN disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
CN-110499164-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2023-12-05 CN disclosed
CN-112852446-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2023-11-17 CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
CN-115595159-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司(TW) 2023-01-13 CN disclosed
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2009-08-20 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-2024350-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS Anaconda Pharma (FR) 2009-02-18 EP disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
WO-2007135106-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2007-11-29 WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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 (4 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-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 PARP10 699/4885NFE2L2 2650/4885HPGD 198/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 PARP10 2952/4885NFE2L2 11/4885HPGD 207/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 PARP10 1022/4885NFE2L2 4816/4885HPGD 3360/4885
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 PARP10 2530/4885NFE2L2 12/4885HPGD 522/4885

“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.