SCHEMBL4076795

SCHEMBL4076795

CC(=O)Oc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HSPB1 P04792 4/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 1/20 0.43
VCP P55072 1/20 0.43
TTR P02766 1/20 0.42

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
SCHEMBL28077125 0.87 ALDH1A1 (0.54) L3MBTL1SMN1; SMN2HSPB1MAPTALDH1A1
SCHEMBL27479660 0.87 HSPB1 (0.53) L3MBTL1HSPB1MAPTALDH1A1ATM
SCHEMBL28406748 0.85 HSPB1 (0.50) L3MBTL1HSPB1MAPTATMTDP1
SCHEMBL2012345 0.84 L3MBTL1 (0.52) L3MBTL1HSPB1MAPTALDH1A1ATM
SCHEMBL27719773 0.83 L3MBTL1 (0.48) L3MBTL1HSPB1MAPTALDH1A1ATM
SCHEMBL823705 0.82 RECQL (0.56) SMN1; SMN2HSPB1MAPTALDH1A1TDP1
SCHEMBL30318004 0.82 RECQL (0.56) SMN1; SMN2HSPB1MAPTALDH1A1TDP1
SCHEMBL27662020 0.81 L3MBTL1 (0.49) L3MBTL1HSPB1MAPTALDH1A1ATM
SCHEMBL1068743 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1MITFGAA
SCHEMBL6742909 0.81 ALDH1A1 (0.53) L3MBTL1SMN1; SMN2MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321736-B To M1Compounds with receptor activity and their use in medicine GLAXO GROUP LTD 2012-04-04 CN disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
CN-101321736-A To M1Compounds with receptor activity and their use in medicine GLAXO GROUP LTD (GB) 2008-12-10 CN disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
CN-1318403-C Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2007-05-30 CN disclosed
CN-1960973-A 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake WYETH CORP (US) 2007-05-09 CN disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
CN-1250526-C Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2006-04-12 CN disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
CN-1668589-A Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 CN disclosed
CN-1311775-A Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2001-09-05 CN 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 (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-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT L3MBTL1 4659/4885SMN1; SMN2 184/4885HSPB1 2742/4885

“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.