SCHEMBL3528402

SCHEMBL3528402

O=C(O)C(C(=O)O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNMA1 Q12791 1/20 0.42
CYP1A2 P05177 2/20 0.41
PDE7A Q13946 1/20 0.40
PDK1 Q15118 1/20 0.40
TTR P02766 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
CASP6 P55212 1/20 0.39
LMNA P02545 1/20 0.38
HSPB1 P04792 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL3528404 1.00 ATM (0.49) ATMTDP1KCNMA1CYP1A2PDE7A
SCHEMBL27847551 0.87 ALDH1A1 (0.56) ATMTDP1KCNMA1CYP1A2ALDH1A1
SCHEMBL3866824 0.87 ATM (0.53) ATMTDP1KCNMA1CYP1A2PDE7A
SCHEMBL7057325 0.87 ATM (0.53) ATMTDP1KCNMA1CYP1A2PDE7A
SCHEMBL3363361 0.85 MAPT (0.50) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL1970519 0.84 ATM (0.46) ATMTDP1KCNMA1CYP1A2PDE7A
SCHEMBL1970520 0.84 ATM (0.46) ATMTDP1KCNMA1CYP1A2PDE7A
SCHEMBL3363358 0.81 ALDH1A1 (0.64) ATMTDP1KCNMA1PDK1ALDH1A1
SCHEMBL2494783 0.80 CYP1A2 (0.41) CYP1A2PDK1ALDH1A1TSHRMAPT
SCHEMBL7043138 0.80 CASP6 (0.64) PDK1TSHRCASP6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015688-A Muscarinic receptor agonists, compositions, methods of treatment thereof, and processes for preparation thereof ASTRAZENECA AB 2011-04-13 CN disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 EP disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP 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
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
US-6051593-A USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-04-18 US disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed
EP-0809631-A4 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA INC (US) 1998-07-08 EP disclosed
EP-0809631-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1997-12-03 EP disclosed
WO-1996023770-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1996-08-08 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT ATM 1594/4885TDP1 322/4885KCNMA1 2565/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT ATM 1594/4885TDP1 322/4885KCNMA1 2565/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ATM 865/4885TDP1 1733/4885KCNMA1 2288/4885

“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.