SCHEMBL1126947

SCHEMBL1126947

O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.75
DRD4 P21917 3/20 0.66
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NPBWR1 P48145 1/20 0.64
MCHR1 Q99705 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
KDM4E B2RXH2 1/20 0.62
HTR1A P08908 1/20 0.61

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
SCHEMBL5206645 0.95 POLB (0.68) POLBDRD4ALDH1A1MAPTL3MBTL1
SCHEMBL3151686 0.94 POLB (0.71) POLBDRD4ALDH1A1MAPTL3MBTL1
SCHEMBL8125916 0.91 MEN1 (0.68) POLBALDH1A1MAPTL3MBTL1MCHR1
SCHEMBL5626457 0.89 ALDH1A1 (0.74) ALDH1A1MAPTL3MBTL1NPBWR1MCHR1
SCHEMBL25368316 0.87 POLB (0.73) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15347670 0.87 POLB (0.73) POLBDRD4ALDH1A1MAPTNPBWR1
SCHEMBL4506302 0.87 POLB (0.65) POLBDRD4ALDH1A1MAPTNPBWR1
SCHEMBL11549718 0.86 POLB (0.71) POLBALDH1A1MAPTNPBWR1MCHR1
SCHEMBL11556051 0.86 POLB (0.71) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11550138 0.86 POLB (0.75) POLBALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
CN-101336237-B As the pyrimidinyl aryl urea derivatives of FGF inhibitor NOVARTIS AG (CH) 2015-09-30 CN disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
EP-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 EP disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US disclosed
US-5086055-A Treating asthma, rhinitis, atopic dermatitis, chronic hives and conjunctivitis A. H. ROBINS COMPANY, INCORPORATED (US) 1992-02-04 US disclosed
US-5051423-A Derivatized alkanolamines as cardiovascular agents SCHERING AG (DE) 1991-09-24 US disclosed
US-4960776-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1990-10-02 US disclosed
EP-0358284-A2 Derivatized alkanolamines as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 US disclosed
WO-1990000548-A2 DERIVATIZED ALKANOLAMINES AS CARDIOVASCULAR AGENTS SCHERING AKTIENGESELLSCHAFT BERLIN AND BERGKAMEN (DE) 1990-01-25 WO disclosed
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US disclosed
EP-0332570-A2 Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-13 EP disclosed
EP-0277725-A2 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-10 EP disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 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-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 POLB 3827/4885DRD4 1570/4885ALDH1A1 219/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 POLB 3255/4885DRD4 4846/4885ALDH1A1 910/4885

“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.