SCHEMBL4076911

SCHEMBL4076911

O=C(O)c1ccc2nc(Cl)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
HSP90AA1 P07900 1/20 0.66
ESR2 Q92731 1/20 0.66
CHEK2 O96017 6/20 0.62
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
APEX1 P27695 1/20 0.57
NR4A2 P43354 1/20 0.56
EGLN1 Q9GZT9 1/20 0.54
POLB P06746 1/20 0.52
TOP2A P11388 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
MLKL Q8NB16 1/20 0.51
MAPT P10636 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 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
SCHEMBL30167005 0.86 TDP1 (0.49) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL9928725 0.86 TDP1 (0.49) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL9304016 0.85 CHEK2 (0.63) CHEK2
SCHEMBL1097139 0.81 HTT (0.64) TDP1HSP90AA1ESR2SMN1; SMN2ALDH1A1
SCHEMBL31721327 0.81 TDP1 (0.68) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL1758956 0.79 TDP1 (1.00) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL29924530 0.79 TDP1 (1.00) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL766093 0.79 HSP90AA1 (0.66) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL1261208 0.79 ABL1 (0.72) TDP1HSP90AA1ESR2CHEK2NPSR1
SCHEMBL9305236 0.79 HSP90AA1 (0.66) TDP1HSP90AA1ESR2CHEK2NPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983378-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2022-04-20 EP disclosed
CN-114206829-A Integrated stress response pathway inhibitors 普拉西斯生物技术有限责任公司 2022-03-18 CN disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 US disclosed
WO-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 WO disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US disclosed
EP-3681499-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. Shaw Research, LLC (US) 2020-07-22 EP disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 WO disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 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-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 TDP1 1045/4885HSP90AA1 293/4885ESR2 1433/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS TDP1 4172/4885HSP90AA1 2408/4885ESR2 4259/4885

“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.