SCHEMBL3874156

SCHEMBL3874156

CSc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.58
▸ TDP1 Q9NUW8 4/20 0.53
▸ ATM Q13315 1/20 0.53
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ USP10 Q14694 1/20 0.45
▸ USP7 Q93009 1/20 0.45
▸ USP47 Q96K76 1/20 0.45
▸ HSPB1 P04792 2/20 0.44
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL29662268 0.85 ATM (0.58) PDE7ATDP1ATMTXNRD1TXNRD3
SCHEMBL1151368 0.85 ATM (0.58) PDE7ATDP1ATMTXNRD1TXNRD3
SCHEMBL31585223 0.81 TXNRD1 (0.42) PDE7ATDP1TXNRD1TXNRD3TXNRD2
SCHEMBL23302290 0.81 PDE7A (0.54) PDE7ATDP1ATMTXNRD1TXNRD3
SCHEMBL6558543 0.81 PDE7A (0.54) PDE7ATDP1ATMTXNRD1TXNRD3
SCHEMBL8973665 0.79 TXNRD1 (0.72) TDP1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL7597811 0.79 TSHR (0.62) TDP1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1136130 0.78 PDE7A (0.51) PDE7ATDP1ATMTXNRD1TXNRD3
SCHEMBL11144762 0.78 ALDH1A1 (0.59) PDE7ATDP1TXNRD1TXNRD3TXNRD2
SCHEMBL16950944 0.78 TXNRD1 (0.46) PDE7ATDP1TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115393-A1 PROCESS FOR THE PREPARATION OF N-(1-PHENYLETHYL)ANILINES, SALTS, AND SOLVATES THEREOF USEFUL AS SEROTONIN 5-HT6 ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S. A. (ES) 2009-09-24 — — WO disclosed
WO-2009115393-A1 PROCESS FOR THE PREPARATION OF N-(1-PHENYLETHYL)ANILINES, SALTS, AND SOLVATES THEREOF USEFUL AS SEROTONIN 5-HT6 ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S. A. (ES) 2009-09-24 — — WO disclosed
EP-2103596-A1 Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-23 — — EP disclosed
EP-2103596-A1 Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-23 — — EP disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
US-6743796-B2 PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA; PARKINSON'S DISEASE WYETH 2004-06-01 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 PDE7A 1042/4885TDP1 1505/4885ATM 173/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 PDE7A 775/4885TDP1 1512/4885ATM 244/4885

“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.

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